N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide

C23H34N2O3 — CID 4243741

IUPACN-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(NC1CCCCCCC1)C(CO)NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C23H34N2O3/c26-17-20(21(27)24-19-13-7-2-1-3-8-14-19)25-22(28)23(15-9-10-16-23)18-11-5-4-6-12-18/h4-6,11-12,19-20,26H,1-3,7-10,13-17H2,(H,24,27)(H,25,28)
InChIKeyIMXVDWCONYXYCA-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.20
Rot. Bonds6

About N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide

N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 4243741) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
PubChem CID4243741
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC NameN-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(NC1CCCCCCC1)C(CO)NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C23H34N2O3/c26-17-20(21(27)24-19-13-7-2-1-3-8-14-19)25-22(28)23(15-9-10-16-23)18-11-5-4-6-12-18/h4-6,11-12,19-20,26H,1-3,7-10,13-17H2,(H,24,27)(H,25,28)
InChIKeyIMXVDWCONYXYCA-UHFFFAOYSA-N
XLogP3.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
CID 6951076
Phe-Ser
CID 193508
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CID 145864195
Annumuricatin C
CID 11489828
(2S)-N-[(E,3S)-6-hydroxy-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanamide
CID 11712293
H-Pro-Ser-Lys(Me3)-Phe-Leu-NH2
CID 123132930
(2S)-6-amino-2-[[(2S)-2-[[2-[4-(5-aminopentyl)phenyl]acetyl]amino]-3-hydroxy-propanoyl]amino]-N-(2-cyclohexylethyl)hexanamide
CID 469495
(2S)-6-amino-2-[[(2S)-2-[[2-[4-(6-aminohexyl)phenyl]acetyl]amino]-3-hydroxypropanoyl]amino]-N-(2-cyclohexylethyl)hexanamide
CID 469497
(2S)-6-amino-2-[[(2S)-2-[[2-[4-(8-aminooctyl)phenyl]acetyl]amino]-3-hydroxy-propanoyl]amino]-N-(2-cyclohexylethyl)hexanamide
CID 469498
(2S)-6-amino-2-[[(2S)-2-[[2-[3-(5-aminopentyl)phenyl]acetyl]amino]-3-hydroxy-propanoyl]amino]-N-(2-cyclohexylethyl)hexanamide
CID 469499
N-[(1S)-2-[[(1S)-5-amino-1-(2-cyclohexylethylcarbamoyl)pentyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]-7-[4-(aminomethyl)phenyl]heptanamide
CID 469501
(2S)-6-amino-2-[[(2S)-2-[2-[4-(6-aminohexyl)phenyl]propanoylamino]-3-hydroxy-propanoyl]amino]-N-(2-cyclohexylethyl)hexanamide
CID 469504

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide (CID 4243741) is N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide is O=C(NC1CCCCCCC1)C(CO)NC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is IMXVDWCONYXYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c26-17-20(21(27)24-19-13-7-2-1-3-8-14-19)25-22(28)23(15-9-10-16-23)18-11-5-4-6-12-18/h4-6,11-12,19-20,26H,1-3,7-10,13-17H2,(H,24,27)(H,25,28).
What are the key properties of N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide?
N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 4243741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).