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

C16H25N3O2 — CID 102631553

IUPACN-(3-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide
SMILESCN(CCC(=O)Nc1cccc(N)c1)C1CCCCC1O
InChIInChI=1S/C16H25N3O2/c1-19(14-7-2-3-8-15(14)20)10-9-16(21)18-13-6-4-5-12(17)11-13/h4-6,11,14-15,20H,2-3,7-10,17H2,1H3,(H,18,21)
InChIKeyLFVWHWZELHTQRA-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.83
Rot. Bonds5

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

N-(3-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide (PubChem CID 102631553) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide
PubChem CID102631553
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(3-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide
SMILESCN(CCC(=O)Nc1cccc(N)c1)C1CCCCC1O
InChIInChI=1S/C16H25N3O2/c1-19(14-7-2-3-8-15(14)20)10-9-16(21)18-13-6-4-5-12(17)11-13/h4-6,11,14-15,20H,2-3,7-10,17H2,1H3,(H,18,21)
InChIKeyLFVWHWZELHTQRA-UHFFFAOYSA-N
XLogP1.83
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 102631536
N-(3-aminophenyl)-3-(N-methylanilino)propanamide
CID 16778596
N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide
CID 43587667
3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide
CID 102636283
3-[[2-(3-aminoanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 82224717
N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526610
N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 61424662
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide
CID 18070061
N-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
CID 43569671
3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
CID 113122753

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide?
The IUPAC name of N-(3-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide (CID 102631553) is N-(3-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide is CN(CCC(=O)Nc1cccc(N)c1)C1CCCCC1O.
What is the InChIKey of N-(3-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide?
The InChIKey is LFVWHWZELHTQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(14-7-2-3-8-15(14)20)10-9-16(21)18-13-6-4-5-12(17)11-13/h4-6,11,14-15,20H,2-3,7-10,17H2,1H3,(H,18,21).
What are the key properties of N-(3-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide?
N-(3-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide is sourced from PubChem (CID 102631553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).