(2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide

C15H22N2O3 — CID 9495719

IUPAC(2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCOc1cccc(CNC(=O)[C@H](NC(C)=O)C(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-10(2)14(17-11(3)18)15(19)16-9-12-6-5-7-13(8-12)20-4/h5-8,10,14H,9H2,1-4H3,(H,16,19)(H,17,18)/t14-/m1/s1
InChIKeyZIAFKRBYVMQXKA-CQSZACIVSA-N
MW278.35 g/mol
LogP1.47
Rot. Bonds6

About (2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide

(2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide (PubChem CID 9495719) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
PubChem CID9495719
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCOc1cccc(CNC(=O)[C@H](NC(C)=O)C(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-10(2)14(17-11(3)18)15(19)16-9-12-6-5-7-13(8-12)20-4/h5-8,10,14H,9H2,1-4H3,(H,16,19)(H,17,18)/t14-/m1/s1
InChIKeyZIAFKRBYVMQXKA-CQSZACIVSA-N
XLogP1.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
N-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide
CID 115187724
(2S)-2-[(3-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 947246
methyl 2-[(3-methoxyphenyl)methylamino]-3-methylbutanoate
CID 60690958
2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 60873373
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53286233
N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282955
3-[[(2-acetamido-3-methylbutanoyl)amino]methyl]-N-phenylbenzamide
CID 46466222
methyl 4-[[[(2S)-2-acetamido-3-methylbutanoyl]amino]methyl]benzoate
CID 9112842
N-[(3-methoxyphenyl)methyl]-2-methylhexanamide
CID 163830422

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide?
The IUPAC name of (2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide (CID 9495719) is (2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide is COc1cccc(CNC(=O)[C@H](NC(C)=O)C(C)C)c1.
What is the InChIKey of (2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide?
The InChIKey is ZIAFKRBYVMQXKA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)14(17-11(3)18)15(19)16-9-12-6-5-7-13(8-12)20-4/h5-8,10,14H,9H2,1-4H3,(H,16,19)(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide?
(2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide has a molecular weight of 278.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 9495719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).