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

C16H24N2O2 — CID 80701579

IUPAC3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
SMILESNc1cccc(CCC(=O)NCC2CCCCC2O)c1
InChIInChI=1S/C16H24N2O2/c17-14-6-3-4-12(10-14)8-9-16(20)18-11-13-5-1-2-7-15(13)19/h3-4,6,10,13,15,19H,1-2,5,7-9,11,17H2,(H,18,20)
InChIKeyVYBMFVOKBFCNPP-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.87
Rot. Bonds5

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

3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide (PubChem CID 80701579) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
PubChem CID80701579
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
SMILESNc1cccc(CCC(=O)NCC2CCCCC2O)c1
InChIInChI=1S/C16H24N2O2/c17-14-6-3-4-12(10-14)8-9-16(20)18-11-13-5-1-2-7-15(13)19/h3-4,6,10,13,15,19H,1-2,5,7-9,11,17H2,(H,18,20)
InChIKeyVYBMFVOKBFCNPP-UHFFFAOYSA-N
XLogP1.87
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.87
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-(3-aminophenyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 80695390
3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 107211275
3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 120611060
3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 107273176
(E)-3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide
CID 115344347
3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 119330203
3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111912095
3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64928523
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 106591529
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide
CID 28713423

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide (CID 80701579) is 3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide is Nc1cccc(CCC(=O)NCC2CCCCC2O)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is VYBMFVOKBFCNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-14-6-3-4-12(10-14)8-9-16(20)18-11-13-5-1-2-7-15(13)19/h3-4,6,10,13,15,19H,1-2,5,7-9,11,17H2,(H,18,20).
What are the key properties of 3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide?
3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 80701579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).