N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)butanamide

C28H33N3O4 — CID 132616176

IUPACN-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)butanamide
SMILESCC(C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C28H33N3O4/c1-20(26(33)29-22-12-5-6-13-22)30(19-17-21-10-3-2-4-11-21)25(32)16-9-18-31-27(34)23-14-7-8-15-24(23)28(31)35/h2-4,7-8,10-11,14-15,20,22H,5-6,9,12-13,16-19H2,1H3,(H,29,33)
InChIKeyNPYMTYZISGHZDA-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.58
Rot. Bonds10

About N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)butanamide

N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)butanamide (PubChem CID 132616176) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound NameN-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)butanamide
PubChem CID132616176
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC NameN-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)butanamide
SMILESCC(C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C28H33N3O4/c1-20(26(33)29-22-12-5-6-13-22)30(19-17-21-10-3-2-4-11-21)25(32)16-9-18-31-27(34)23-14-7-8-15-24(23)28(31)35/h2-4,7-8,10-11,14-15,20,22H,5-6,9,12-13,16-19H2,1H3,(H,29,33)
InChIKeyNPYMTYZISGHZDA-UHFFFAOYSA-N
XLogP3.58
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-[4-(1,3-dioxoisoindol-2-yl)butanoyl-(2-phenylethyl)amino]butanamide
CID 132619852
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)-N-(2-phenylethyl)butanamide
CID 132619009
N-benzyl-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 132616180
(2R)-N-cyclohexyl-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100517141
N-[(4-bromophenyl)methyl]-N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 100569932
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3,4-dichlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 100500082
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-(2-phenylethyl)butanamide
CID 100520067
(2R)-N-cyclohexyl-2-[2-phenylethyl(propanoyl)amino]propanamide
CID 100521838
4-(2-oxobenzo[cd]indol-1-yl)-N-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
CID 100725860
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
CID 132615250
2-[[2-(2-chlorophenyl)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide
CID 132984685
N-[1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 133261198

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)butanamide?
The IUPAC name of N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)butanamide (CID 132616176) is N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)butanamide.
What is the SMILES notation for N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)butanamide?
The canonical SMILES for N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)butanamide is CC(C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)butanamide?
The InChIKey is NPYMTYZISGHZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-20(26(33)29-22-12-5-6-13-22)30(19-17-21-10-3-2-4-11-21)25(32)16-9-18-31-27(34)23-14-7-8-15-24(23)28(31)35/h2-4,7-8,10-11,14-15,20,22H,5-6,9,12-13,16-19H2,1H3,(H,29,33).
What are the key properties of N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)butanamide?
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)butanamide has a molecular weight of 475.59 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 132616176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).