4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide

C14H22N2O — CID 81361161

IUPAC4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide
SMILESCc1cccc([C@@H](C)NC(=O)CCC(C)N)c1
InChIInChI=1S/C14H22N2O/c1-10-5-4-6-13(9-10)12(3)16-14(17)8-7-11(2)15/h4-6,9,11-12H,7-8,15H2,1-3H3,(H,16,17)/t11?,12-/m1/s1
InChIKeyXZIQZRQATJTVOL-PIJUOVFKSA-N
MW234.34 g/mol
LogP2.30
Rot. Bonds5

About 4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide

4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide (PubChem CID 81361161) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide
PubChem CID81361161
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide
SMILESCc1cccc([C@@H](C)NC(=O)CCC(C)N)c1
InChIInChI=1S/C14H22N2O/c1-10-5-4-6-13(9-10)12(3)16-14(17)8-7-11(2)15/h4-6,9,11-12H,7-8,15H2,1-3H3,(H,16,17)/t11?,12-/m1/s1
InChIKeyXZIQZRQATJTVOL-PIJUOVFKSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360634
4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide
CID 120562455
ethyl 4-[[(1S)-1-(3-methylphenyl)ethyl]amino]-4-oxobutanoate
CID 81363588
4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360738
3-chloro-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81361298
4-[[(1R)-1-(3-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 81363109
2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81360481
4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559119
4-(methylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360998
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81361090
2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate
CID 81361011
2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81361527

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide?
The IUPAC name of 4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide (CID 81361161) is 4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide.
What is the SMILES notation for 4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide?
The canonical SMILES for 4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide is Cc1cccc([C@@H](C)NC(=O)CCC(C)N)c1.
What is the InChIKey of 4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide?
The InChIKey is XZIQZRQATJTVOL-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-5-4-6-13(9-10)12(3)16-14(17)8-7-11(2)15/h4-6,9,11-12H,7-8,15H2,1-3H3,(H,16,17)/t11?,12-/m1/s1.
What are the key properties of 4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide?
4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide has a molecular weight of 234.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide is sourced from PubChem (CID 81361161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).