N-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide

C20H28N2O3 — CID 111332048

IUPACN-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide
SMILESO=C(CC1(O)CCCCC1)NC(Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C20H28N2O3/c23-18(14-20(25)11-5-2-6-12-20)22-17(19(24)21-16-9-10-16)13-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,25H,2,5-6,9-14H2,(H,21,24)(H,22,23)
InChIKeyIPTDUFJLMCOKJL-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.08
Rot. Bonds7

About N-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide

N-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide (PubChem CID 111332048) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide
PubChem CID111332048
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide
SMILESO=C(CC1(O)CCCCC1)NC(Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C20H28N2O3/c23-18(14-20(25)11-5-2-6-12-20)22-17(19(24)21-16-9-10-16)13-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,25H,2,5-6,9-14H2,(H,21,24)(H,22,23)
InChIKeyIPTDUFJLMCOKJL-UHFFFAOYSA-N
XLogP2.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 3523242
(2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide
CID 95291680
N-[cyclobutyl(phenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538084
N-benzhydryl-2-(1-hydroxycyclopentyl)acetamide
CID 111430201
methyl (2R)-2-[[(3R)-5-(cyclododecylamino)-3-methyl-5-oxopentanoyl]amino]-3-phenylpropanoate
CID 41263636
methyl (2R)-2-[[(3S)-5-(cyclohexylamino)-3-methyl-5-oxopentanoyl]amino]-3-phenylpropanoate
CID 7326241
(2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide
CID 95275372
2-[(3-chlorophenyl)carbamoylamino]-N-cyclopropyl-3-phenylpropanamide
CID 47093307
[2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-methylazanium
CID 8911616
(2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide
CID 94798428
(2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide
CID 52506751

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide?
The IUPAC name of N-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide (CID 111332048) is N-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide is O=C(CC1(O)CCCCC1)NC(Cc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide?
The InChIKey is IPTDUFJLMCOKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-18(14-20(25)11-5-2-6-12-20)22-17(19(24)21-16-9-10-16)13-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,25H,2,5-6,9-14H2,(H,21,24)(H,22,23).
What are the key properties of N-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide?
N-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide has a molecular weight of 344.45 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 111332048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).