N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide

C13H20N4O2 — CID 119701163

IUPACN-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCc1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H20N4O2/c1-9(7-15-2)12(18)16-8-10-3-5-11(6-4-10)17-13(14)19/h3-6,9,15H,7-8H2,1-2H3,(H,16,18)(H3,14,17,19)
InChIKeyWZINOVBVWXFMNY-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.65
Rot. Bonds6

About N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide

N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119701163) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119701163
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCc1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H20N4O2/c1-9(7-15-2)12(18)16-8-10-3-5-11(6-4-10)17-13(14)19/h3-6,9,15H,7-8H2,1-2H3,(H,16,18)(H3,14,17,19)
InChIKeyWZINOVBVWXFMNY-UHFFFAOYSA-N
XLogP0.65
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 119730362
N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119701452
3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62668740
N,N-dimethyl-4-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide;hydrochloride
CID 119701723
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea
CID 177002479
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019
2-methyl-3-(methylamino)-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714366
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119689663
2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 119778417
N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277407
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide
CID 79012217

Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide (CID 119701163) is N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCc1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is WZINOVBVWXFMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(7-15-2)12(18)16-8-10-3-5-11(6-4-10)17-13(14)19/h3-6,9,15H,7-8H2,1-2H3,(H,16,18)(H3,14,17,19).
What are the key properties of N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide?
N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 264.33 g/mol, XLogP of 0.65, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119701163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).