N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide

C15H20N2O3 — CID 110014616

IUPACN-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(CCNC(=O)C1CCCC1O)Nc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-13-8-4-7-12(13)15(20)16-10-9-14(19)17-11-5-2-1-3-6-11/h1-3,5-6,12-13,18H,4,7-10H2,(H,16,20)(H,17,19)
InChIKeyMLPFIKNIEMJSBN-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.29
Rot. Bonds5

About N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide

N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110014616) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide
PubChem CID110014616
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(CCNC(=O)C1CCCC1O)Nc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-13-8-4-7-12(13)15(20)16-10-9-14(19)17-11-5-2-1-3-6-11/h1-3,5-6,12-13,18H,4,7-10H2,(H,16,20)(H,17,19)
InChIKeyMLPFIKNIEMJSBN-UHFFFAOYSA-N
XLogP1.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride
CID 119324861
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 13313986
3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide
CID 71854072
3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119785792
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
3-acetamido-N-phenylpropanamide
CID 7946185
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide
CID 119785804
4-[(2-hydroxycyclopentanecarbonyl)amino]-N-phenylbenzamide
CID 110015510
cis-(1S,2R)-2-[[(4-anilino-4-oxobutanoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 11839040
(3S)-N-(3-anilino-3-oxopropyl)-4-(cyclobutylmethyl)morpholine-3-carboxamide
CID 124618160
N-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 131908404
N-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 46436271

Frequently Asked Questions

What is the IUPAC name of N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide (CID 110014616) is N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide is O=C(CCNC(=O)C1CCCC1O)Nc1ccccc1.
What is the InChIKey of N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is MLPFIKNIEMJSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-13-8-4-7-12(13)15(20)16-10-9-14(19)17-11-5-2-1-3-6-11/h1-3,5-6,12-13,18H,4,7-10H2,(H,16,20)(H,17,19).
What are the key properties of N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide?
N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110014616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).