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

C21H25N3O2 — CID 55444967

IUPAC2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide
SMILESCC(C1CC1)N(CC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-16(18-12-13-18)24(14-17-8-4-2-5-9-17)15-20(25)23-21(26)22-19-10-6-3-7-11-19/h2-11,16,18H,12-15H2,1H3,(H2,22,23,25,26)
InChIKeyYHJVBXVOFAKYMP-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.64
Rot. Bonds7

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

2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide (PubChem CID 55444967) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide
PubChem CID55444967
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide
SMILESCC(C1CC1)N(CC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-16(18-12-13-18)24(14-17-8-4-2-5-9-17)15-20(25)23-21(26)22-19-10-6-3-7-11-19/h2-11,16,18H,12-15H2,1H3,(H2,22,23,25,26)
InChIKeyYHJVBXVOFAKYMP-UHFFFAOYSA-N
XLogP3.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 46402667
2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 51249740
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide
CID 86983861
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide
CID 31996146
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 31995742
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide
CID 60512943
2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide
CID 46444247
3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide
CID 74655069
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 31996292
N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide
CID 46402737
1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea
CID 14893622
2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid
CID 100636955

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide?
The IUPAC name of 2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide (CID 55444967) is 2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide.
What is the SMILES notation for 2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide?
The canonical SMILES for 2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide is CC(C1CC1)N(CC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide?
The InChIKey is YHJVBXVOFAKYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(18-12-13-18)24(14-17-8-4-2-5-9-17)15-20(25)23-21(26)22-19-10-6-3-7-11-19/h2-11,16,18H,12-15H2,1H3,(H2,22,23,25,26).
What are the key properties of 2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide?
2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide is sourced from PubChem (CID 55444967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).