2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide

C14H21N3O2 — CID 107653133

IUPAC2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)C(=O)NCc1ccccc1
InChIInChI=1S/C14H21N3O2/c1-11(2)9-17(10-13(15)18)14(19)16-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyKRRDDQPJMTZEKI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.34
Rot. Bonds6

About 2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide

2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide (PubChem CID 107653133) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide
PubChem CID107653133
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)C(=O)NCc1ccccc1
InChIInChI=1S/C14H21N3O2/c1-11(2)9-17(10-13(15)18)14(19)16-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyKRRDDQPJMTZEKI-UHFFFAOYSA-N
XLogP1.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-3-iminopropyl)-3-benzyl-1-(2-methylpropyl)urea
CID 107654597
2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 103995670
2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066307
2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide
CID 115585828
1-(4-amino-4-hydroxy-4-phenylbutyl)-3-benzyl-1-(2-methylpropyl)urea
CID 67643320
3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670819
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 62734384
2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 103997753
2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid
CID 63065790
3-benzyl-1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea
CID 107654375
3-[[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]methyl]benzoic acid
CID 103103578
2-[[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]methyl]butanoic acid
CID 65222571

Frequently Asked Questions

What is the IUPAC name of 2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide (CID 107653133) is 2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)C(=O)NCc1ccccc1.
What is the InChIKey of 2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide?
The InChIKey is KRRDDQPJMTZEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(2)9-17(10-13(15)18)14(19)16-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,15,18)(H,16,19).
What are the key properties of 2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide?
2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 107653133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).