(2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide

C14H21N3O3 — CID 58987433

IUPAC(2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide
SMILESCOc1cccc(CN(C)C(=O)CC[C@H](N)C(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-17(13(18)7-6-12(15)14(16)19)9-10-4-3-5-11(8-10)20-2/h3-5,8,12H,6-7,9,15H2,1-2H3,(H2,16,19)/t12-/m0/s1
InChIKeySFFHVKWTNXNRPX-LBPRGKRZSA-N
MW279.34 g/mol
LogP0.25
Rot. Bonds7

About (2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide

(2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide (PubChem CID 58987433) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide
PubChem CID58987433
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide
SMILESCOc1cccc(CN(C)C(=O)CC[C@H](N)C(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-17(13(18)7-6-12(15)14(16)19)9-10-4-3-5-11(8-10)20-2/h3-5,8,12H,6-7,9,15H2,1-2H3,(H2,16,19)/t12-/m0/s1
InChIKeySFFHVKWTNXNRPX-LBPRGKRZSA-N
XLogP0.25
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[(3-methoxyphenyl)methyl-methylamino]-4-oxobutanoate
CID 60636296
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
CID 54869166
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929069
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 64684867
2-[(3-methoxyphenyl)methyl-methylamino]butanamide
CID 62899149
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
(2S)-2-amino-5-[benzyl(methyl)amino]-5-oxopentanoic acid;hydrochloride
CID 166748454
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648313

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide?
The IUPAC name of (2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide (CID 58987433) is (2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide.
What is the SMILES notation for (2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide?
The canonical SMILES for (2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide is COc1cccc(CN(C)C(=O)CC[C@H](N)C(N)=O)c1.
What is the InChIKey of (2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide?
The InChIKey is SFFHVKWTNXNRPX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17(13(18)7-6-12(15)14(16)19)9-10-4-3-5-11(8-10)20-2/h3-5,8,12H,6-7,9,15H2,1-2H3,(H2,16,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide?
(2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide has a molecular weight of 279.34 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide is sourced from PubChem (CID 58987433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).