3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide

C15H22N2O2 — CID 107273176

IUPAC3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
SMILESNc1ccccc1CCC(=O)NCC1CCCC1O
InChIInChI=1S/C15H22N2O2/c16-13-6-2-1-4-11(13)8-9-15(19)17-10-12-5-3-7-14(12)18/h1-2,4,6,12,14,18H,3,5,7-10,16H2,(H,17,19)
InChIKeyRMXWVXJAXQZXMR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.48
Rot. Bonds5

About 3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide

3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide (PubChem CID 107273176) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
PubChem CID107273176
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
SMILESNc1ccccc1CCC(=O)NCC1CCCC1O
InChIInChI=1S/C15H22N2O2/c16-13-6-2-1-4-11(13)8-9-15(19)17-10-12-5-3-7-14(12)18/h1-2,4,6,12,14,18H,3,5,7-10,16H2,(H,17,19)
InChIKeyRMXWVXJAXQZXMR-UHFFFAOYSA-N
XLogP1.48
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 120611060
3-(2-aminophenyl)-N-(thian-4-ylmethyl)propanamide
CID 107273399
3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64928523
3-(2-aminophenyl)-N-(thiolan-2-ylmethyl)propanamide;hydrochloride
CID 120610919
2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol
CID 66419653
3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 80701579
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772
N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
CID 122080752
3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 119330203
3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride
CID 120609307
3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide
CID 60857376
3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide
CID 120612656

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide (CID 107273176) is 3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide is Nc1ccccc1CCC(=O)NCC1CCCC1O.
What is the InChIKey of 3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is RMXWVXJAXQZXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-13-6-2-1-4-11(13)8-9-15(19)17-10-12-5-3-7-14(12)18/h1-2,4,6,12,14,18H,3,5,7-10,16H2,(H,17,19).
What are the key properties of 3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 262.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 107273176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).