2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide

C14H22N2O2 — CID 60873373

IUPAC2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
SMILESCOc1cccc(CNC(=O)C(N)CC(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)7-13(15)14(17)16-9-11-5-4-6-12(8-11)18-3/h4-6,8,10,13H,7,9,15H2,1-3H3,(H,16,17)
InChIKeyKFSFBEBLDPIAND-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.68
Rot. Bonds6

About 2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide

2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide (PubChem CID 60873373) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
PubChem CID60873373
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
SMILESCOc1cccc(CNC(=O)C(N)CC(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)7-13(15)14(17)16-9-11-5-4-6-12(8-11)18-3/h4-6,8,10,13H,7,9,15H2,1-3H3,(H,16,17)
InChIKeyKFSFBEBLDPIAND-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(3-methoxyphenyl)methyl]butanediamide
CID 93345247
2-amino-N-[(3-methoxyphenyl)methyl]butanediamide;hydrochloride
CID 119955853
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
(2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide
CID 119740412
(2S)-2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-methylpentanamide;dihydrochloride
CID 119847644
methyl 2-[(2-amino-4-methylpentanoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 174902616
3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 44902382
methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate
CID 7640872
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 119719988
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide (CID 60873373) is 2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide is COc1cccc(CNC(=O)C(N)CC(C)C)c1.
What is the InChIKey of 2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide?
The InChIKey is KFSFBEBLDPIAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)7-13(15)14(17)16-9-11-5-4-6-12(8-11)18-3/h4-6,8,10,13H,7,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide?
2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide has a molecular weight of 250.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide is sourced from PubChem (CID 60873373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).