N-benzyl-2-(methylcarbamoylamino)propanamide

C12H17N3O2 — CID 47377374

IUPACN-benzyl-2-(methylcarbamoylamino)propanamide
SMILESCNC(=O)NC(C)C(=O)NCc1ccccc1
InChIInChI=1S/C12H17N3O2/c1-9(15-12(17)13-2)11(16)14-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,16)(H2,13,15,17)
InChIKeyXGZKSZFOWYVMBT-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.62
Rot. Bonds4

About N-benzyl-2-(methylcarbamoylamino)propanamide

N-benzyl-2-(methylcarbamoylamino)propanamide (PubChem CID 47377374) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-benzyl-2-(methylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-benzyl-2-(methylcarbamoylamino)propanamide
PubChem CID47377374
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-benzyl-2-(methylcarbamoylamino)propanamide
SMILESCNC(=O)NC(C)C(=O)NCc1ccccc1
InChIInChI=1S/C12H17N3O2/c1-9(15-12(17)13-2)11(16)14-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,16)(H2,13,15,17)
InChIKeyXGZKSZFOWYVMBT-UHFFFAOYSA-N
XLogP0.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
(2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide
CID 94652235
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
2-[(2-aminoacetyl)amino]-N-benzylpropanamide
CID 119304547
N-benzyl-2-(cyclohexylcarbamoylamino)propanamide
CID 60573206
1-benzyl-3-methylurea;ethane
CID 90763782
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide
CID 119750989
(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 15296843
(2S)-2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 119750973
2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate
CID 123797558
N-benzyl-2-methylpropanamide;methane
CID 160760567
N-[[3-(2-fluorophenoxy)phenyl]methyl]-2-(methylcarbamoylamino)propanamide
CID 166322708

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(methylcarbamoylamino)propanamide?
The IUPAC name of N-benzyl-2-(methylcarbamoylamino)propanamide (CID 47377374) is N-benzyl-2-(methylcarbamoylamino)propanamide.
What is the SMILES notation for N-benzyl-2-(methylcarbamoylamino)propanamide?
The canonical SMILES for N-benzyl-2-(methylcarbamoylamino)propanamide is CNC(=O)NC(C)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(methylcarbamoylamino)propanamide?
The InChIKey is XGZKSZFOWYVMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(15-12(17)13-2)11(16)14-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,16)(H2,13,15,17).
What are the key properties of N-benzyl-2-(methylcarbamoylamino)propanamide?
N-benzyl-2-(methylcarbamoylamino)propanamide has a molecular weight of 235.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(methylcarbamoylamino)propanamide is sourced from PubChem (CID 47377374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).