(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide

C15H24N2O2 — CID 93360101

IUPAC(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cccc(OCC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-4-6-14(16)15(18)17-12-7-5-8-13(9-12)19-10-11(2)3/h5,7-9,11,14H,4,6,10,16H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyFCWZTPOUOCSCPS-AWEZNQCLSA-N
MW264.37 g/mol
LogP2.79
Rot. Bonds7

About (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide

(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide (PubChem CID 93360101) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
PubChem CID93360101
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cccc(OCC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-4-6-14(16)15(18)17-12-7-5-8-13(9-12)19-10-11(2)3/h5,7-9,11,14H,4,6,10,16H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyFCWZTPOUOCSCPS-AWEZNQCLSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284739
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 81071451
2-amino-N-(3-butan-2-yloxyphenyl)pentanamide
CID 55059966
2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284740
(2S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284742
2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 76887829
2-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 119284258
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide
CID 119304653
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide (CID 93360101) is (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide is CCC[C@H](N)C(=O)Nc1cccc(OCC(C)C)c1.
What is the InChIKey of (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide?
The InChIKey is FCWZTPOUOCSCPS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-6-14(16)15(18)17-12-7-5-8-13(9-12)19-10-11(2)3/h5,7-9,11,14H,4,6,10,16H2,1-3H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide?
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide has a molecular weight of 264.37 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide is sourced from PubChem (CID 93360101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).