N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide

C16H22N2O3 — CID 110014271

IUPACN-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide
SMILESCC(NC(=O)C1CCCC1O)C(=O)NCc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-11(18-16(21)13-8-5-9-14(13)19)15(20)17-10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14,19H,5,8-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyHPVXYXOASLFCCH-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.97
Rot. Bonds5

About N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide

N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110014271) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110014271
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide
SMILESCC(NC(=O)C1CCCC1O)C(=O)NCc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-11(18-16(21)13-8-5-9-14(13)19)15(20)17-10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14,19H,5,8-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyHPVXYXOASLFCCH-UHFFFAOYSA-N
XLogP0.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119182498
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119750964
N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119304562
N-benzyl-2-(cyclohexylcarbamoylamino)propanamide
CID 60573206
(3S)-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 124566921
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
trans-(1R,2R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 124777197
2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 110015652
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide
CID 52506120
cis-(1R,2S)-N-[(2S,3S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-2-methylcyclohexane-1-carboxamide
CID 40965510
N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 136527944

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide (CID 110014271) is N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide is CC(NC(=O)C1CCCC1O)C(=O)NCc1ccccc1.
What is the InChIKey of N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is HPVXYXOASLFCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(18-16(21)13-8-5-9-14(13)19)15(20)17-10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14,19H,5,8-10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide?
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110014271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).