2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide

C21H26N2O2 — CID 31995742

IUPAC2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(Cc1ccccc1)[C@@H](C)C1CC1
InChIInChI=1S/C21H26N2O2/c1-16(18-12-13-18)23(14-17-8-4-3-5-9-17)15-21(24)22-19-10-6-7-11-20(19)25-2/h3-11,16,18H,12-15H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyMNMVRQWJQGIYBK-INIZCTEOSA-N
MW338.45 g/mol
LogP3.93
Rot. Bonds8

About 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide

2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide (PubChem CID 31995742) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide
PubChem CID31995742
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(Cc1ccccc1)[C@@H](C)C1CC1
InChIInChI=1S/C21H26N2O2/c1-16(18-12-13-18)23(14-17-8-4-3-5-9-17)15-21(24)22-19-10-6-7-11-20(19)25-2/h3-11,16,18H,12-15H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyMNMVRQWJQGIYBK-INIZCTEOSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide
CID 46402737
2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide
CID 46444247
2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide
CID 55444967
2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 46402667
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide
CID 31996146
2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 51249740
2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 24582098
3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid
CID 62827296
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 31996292
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
ethyl 2-[2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 112800231
2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid
CID 62696962

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide (CID 31995742) is 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN(Cc1ccccc1)[C@@H](C)C1CC1.
What is the InChIKey of 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is MNMVRQWJQGIYBK-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(18-12-13-18)23(14-17-8-4-3-5-9-17)15-21(24)22-19-10-6-7-11-20(19)25-2/h3-11,16,18H,12-15H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide?
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 31995742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).