N-[2-[1-[[[1-[4-[3-acetyl-5-oxo-2-phenyl-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]phenyl]-3-oxobutan-2-yl]amino]-hydroxymethyl]cyclopentyl]ethyl]acetamide

C37H45N5O5 — CID 23384202

IUPACN-[2-[1-[[[1-[4-[3-acetyl-5-oxo-2-phenyl-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]phenyl]-3-oxobutan-2-yl]amino]-hydroxymethyl]cyclopentyl]ethyl]acetamide
SMILESCC(=O)NCCC1(C(O)NC(Cc2ccc(N3C(=O)C(Cc4cccnc4)N(C(C)=O)C3c3ccccc3)cc2)C(C)=O)CCCC1
InChIInChI=1S/C37H45N5O5/c1-25(43)32(40-36(47)37(17-7-8-18-37)19-21-39-26(2)44)22-28-13-15-31(16-14-28)42-34(30-11-5-4-6-12-30)41(27(3)45)33(35(42)46)23-29-10-9-20-38-24-29/h4-6,9-16,20,24,32-34,36,40,47H,7-8,17-19,21-23H2,1-3H3,(H,39,44)
InChIKeyZIKNBFBZBXBXPE-UHFFFAOYSA-N
MW639.80 g/mol
LogP4.08
Rot. Bonds13

About N-[2-[1-[[[1-[4-[3-acetyl-5-oxo-2-phenyl-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]phenyl]-3-oxobutan-2-yl]amino]-hydroxymethyl]cyclopentyl]ethyl]acetamide

N-[2-[1-[[[1-[4-[3-acetyl-5-oxo-2-phenyl-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]phenyl]-3-oxobutan-2-yl]amino]-hydroxymethyl]cyclopentyl]ethyl]acetamide (PubChem CID 23384202) has the molecular formula C37H45N5O5 and a molecular weight of 639.80 g/mol. Its IUPAC name is N-[2-[1-[[[1-[4-[3-acetyl-5-oxo-2-phenyl-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]phenyl]-3-oxobutan-2-yl]amino]-hydroxymethyl]cyclopentyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[[[1-[4-[3-acetyl-5-oxo-2-phenyl-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]phenyl]-3-oxobutan-2-yl]amino]-hydroxymethyl]cyclopentyl]ethyl]acetamide
PubChem CID23384202
Molecular FormulaC37H45N5O5
Molecular Weight639.80 g/mol
Exact Mass639.34
IUPAC NameN-[2-[1-[[[1-[4-[3-acetyl-5-oxo-2-phenyl-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]phenyl]-3-oxobutan-2-yl]amino]-hydroxymethyl]cyclopentyl]ethyl]acetamide
SMILESCC(=O)NCCC1(C(O)NC(Cc2ccc(N3C(=O)C(Cc4cccnc4)N(C(C)=O)C3c3ccccc3)cc2)C(C)=O)CCCC1
InChIInChI=1S/C37H45N5O5/c1-25(43)32(40-36(47)37(17-7-8-18-37)19-21-39-26(2)44)22-28-13-15-31(16-14-28)42-34(30-11-5-4-6-12-30)41(27(3)45)33(35(42)46)23-29-10-9-20-38-24-29/h4-6,9-16,20,24,32-34,36,40,47H,7-8,17-19,21-23H2,1-3H3,(H,39,44)
InChIKeyZIKNBFBZBXBXPE-UHFFFAOYSA-N
XLogP4.08
TPSA131.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500639.80
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[2-[1-[[[1-[4-[3-acetyl-5-oxo-2-phenyl-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]phenyl]-3-oxobutan-2-yl]amino]-hydroxymethyl]cyclopentyl]ethyl]acetamide with MolForge

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Related Compounds

1-butanoyl-3-methyl-2-phenyl-5-(pyridin-3-ylmethyl)imidazolidin-4-one
CID 23531195
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CID 59072619
3-(methylamino)-4-pyridin-3-ylbutan-2-one
CID 22974289
N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 108506762
N-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]acetamide
CID 24955070
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 162790633
3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946421
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 78149656
3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
CID 61200194
1-(4-ethylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629256
N-[5-oxo-2-phenyl-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazol-4-yl]acetamide
CID 4909296
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 11939645

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[[1-[4-[3-acetyl-5-oxo-2-phenyl-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]phenyl]-3-oxobutan-2-yl]amino]-hydroxymethyl]cyclopentyl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[[[1-[4-[3-acetyl-5-oxo-2-phenyl-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]phenyl]-3-oxobutan-2-yl]amino]-hydroxymethyl]cyclopentyl]ethyl]acetamide (CID 23384202) is N-[2-[1-[[[1-[4-[3-acetyl-5-oxo-2-phenyl-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]phenyl]-3-oxobutan-2-yl]amino]-hydroxymethyl]cyclopentyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[[[1-[4-[3-acetyl-5-oxo-2-phenyl-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]phenyl]-3-oxobutan-2-yl]amino]-hydroxymethyl]cyclopentyl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[[[1-[4-[3-acetyl-5-oxo-2-phenyl-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]phenyl]-3-oxobutan-2-yl]amino]-hydroxymethyl]cyclopentyl]ethyl]acetamide is CC(=O)NCCC1(C(O)NC(Cc2ccc(N3C(=O)C(Cc4cccnc4)N(C(C)=O)C3c3ccccc3)cc2)C(C)=O)CCCC1.
What is the InChIKey of N-[2-[1-[[[1-[4-[3-acetyl-5-oxo-2-phenyl-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]phenyl]-3-oxobutan-2-yl]amino]-hydroxymethyl]cyclopentyl]ethyl]acetamide?
The InChIKey is ZIKNBFBZBXBXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45N5O5/c1-25(43)32(40-36(47)37(17-7-8-18-37)19-21-39-26(2)44)22-28-13-15-31(16-14-28)42-34(30-11-5-4-6-12-30)41(27(3)45)33(35(42)46)23-29-10-9-20-38-24-29/h4-6,9-16,20,24,32-34,36,40,47H,7-8,17-19,21-23H2,1-3H3,(H,39,44).
What are the key properties of N-[2-[1-[[[1-[4-[3-acetyl-5-oxo-2-phenyl-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]phenyl]-3-oxobutan-2-yl]amino]-hydroxymethyl]cyclopentyl]ethyl]acetamide?
N-[2-[1-[[[1-[4-[3-acetyl-5-oxo-2-phenyl-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]phenyl]-3-oxobutan-2-yl]amino]-hydroxymethyl]cyclopentyl]ethyl]acetamide has a molecular weight of 639.80 g/mol, XLogP of 4.08, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[[1-[4-[3-acetyl-5-oxo-2-phenyl-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]phenyl]-3-oxobutan-2-yl]amino]-hydroxymethyl]cyclopentyl]ethyl]acetamide is sourced from PubChem (CID 23384202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).