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

C16H26N2O2 — CID 61174256

IUPAC(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccccc1OCC(C)C
InChIInChI=1S/C16H26N2O2/c1-5-12(4)15(17)16(19)18-13-8-6-7-9-14(13)20-10-11(2)3/h6-9,11-12,15H,5,10,17H2,1-4H3,(H,18,19)/t12?,15-/m0/s1
InChIKeyZDIUWBYBTGPFAB-CVRLYYSRSA-N
MW278.40 g/mol
LogP3.03
Rot. Bonds7

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

(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide (PubChem CID 61174256) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
PubChem CID61174256
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccccc1OCC(C)C
InChIInChI=1S/C16H26N2O2/c1-5-12(4)15(17)16(19)18-13-8-6-7-9-14(13)20-10-11(2)3/h6-9,11-12,15H,5,10,17H2,1-4H3,(H,18,19)/t12?,15-/m0/s1
InChIKeyZDIUWBYBTGPFAB-CVRLYYSRSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid
CID 63745357
2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide
CID 55125784
(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide
CID 61178634
2-amino-N-[2-(2-methylpropoxy)phenyl]hexanamide
CID 60928386
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea
CID 47264632
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide (CID 61174256) is (2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide is CCC(C)[C@H](N)C(=O)Nc1ccccc1OCC(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide?
The InChIKey is ZDIUWBYBTGPFAB-CVRLYYSRSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-12(4)15(17)16(19)18-13-8-6-7-9-14(13)20-10-11(2)3/h6-9,11-12,15H,5,10,17H2,1-4H3,(H,18,19)/t12?,15-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide?
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide has a molecular weight of 278.40 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide is sourced from PubChem (CID 61174256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).