N-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide

C17H27N3O4 — CID 9058250

IUPACN-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CN(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H27N3O4/c1-6-12(2)18-17(22)19-16(21)11-20(3)10-13-7-8-14(23-4)15(9-13)24-5/h7-9,12H,6,10-11H2,1-5H3,(H2,18,19,21,22)/t12-/m0/s1
InChIKeyJVHBCIANWPRJNP-LBPRGKRZSA-N
MW337.42 g/mol
LogP1.76
Rot. Bonds8

About N-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide

N-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide (PubChem CID 9058250) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
PubChem CID9058250
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CN(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H27N3O4/c1-6-12(2)18-17(22)19-16(21)11-20(3)10-13-7-8-14(23-4)15(9-13)24-5/h7-9,12H,6,10-11H2,1-5H3,(H2,18,19,21,22)/t12-/m0/s1
InChIKeyJVHBCIANWPRJNP-LBPRGKRZSA-N
XLogP1.76
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761110
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251801
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251798
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799035
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide
CID 8583865
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329
N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide
CID 8844824
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 60589402
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(ethylcarbamoyl)acetamide
CID 8583895
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 8798523
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8908217
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045913

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide (CID 9058250) is N-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide is CC[C@H](C)NC(=O)NC(=O)CN(C)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is JVHBCIANWPRJNP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-6-12(2)18-17(22)19-16(21)11-20(3)10-13-7-8-14(23-4)15(9-13)24-5/h7-9,12H,6,10-11H2,1-5H3,(H2,18,19,21,22)/t12-/m0/s1.
What are the key properties of N-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide?
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 337.42 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 9058250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).