2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide

C15H24N2O2 — CID 106344173

IUPAC2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide
SMILESCOc1ccccc1CC(C)NC(C(N)=O)C(C)C
InChIInChI=1S/C15H24N2O2/c1-10(2)14(15(16)18)17-11(3)9-12-7-5-6-8-13(12)19-4/h5-8,10-11,14,17H,9H2,1-4H3,(H2,16,18)
InChIKeyHWSYJMNSTDVXSK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.73
Rot. Bonds7

About 2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide

2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide (PubChem CID 106344173) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide
PubChem CID106344173
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide
SMILESCOc1ccccc1CC(C)NC(C(N)=O)C(C)C
InChIInChI=1S/C15H24N2O2/c1-10(2)14(15(16)18)17-11(3)9-12-7-5-6-8-13(12)19-4/h5-8,10-11,14,17H,9H2,1-4H3,(H2,16,18)
InChIKeyHWSYJMNSTDVXSK-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
methyl (2S)-2-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]hexanoate
CID 97308730
1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 115721693
N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
CID 63452997
N-[1-(2-methoxyphenyl)propan-2-yl]-3-oxobutanamide
CID 54867173
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
3-amino-4-[1-(2-methoxyphenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896685
2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide
CID 79792524
1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine
CID 119165092
1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
CID 56798078
phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate
CID 61068601

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide?
The IUPAC name of 2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide (CID 106344173) is 2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide?
The canonical SMILES for 2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide is COc1ccccc1CC(C)NC(C(N)=O)C(C)C.
What is the InChIKey of 2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide?
The InChIKey is HWSYJMNSTDVXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)14(15(16)18)17-11(3)9-12-7-5-6-8-13(12)19-4/h5-8,10-11,14,17H,9H2,1-4H3,(H2,16,18).
What are the key properties of 2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide?
2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide is sourced from PubChem (CID 106344173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).