3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide

C11H16N4O2 — CID 62670686

IUPAC3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C11H16N4O2/c1-7(6-12)10(16)14-8-3-2-4-9(5-8)15-11(13)17/h2-5,7H,6,12H2,1H3,(H,14,16)(H3,13,15,17)
InChIKeyPWBCAGYFBIQLAZ-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.71
Rot. Bonds4

About 3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide

3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide (PubChem CID 62670686) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
PubChem CID62670686
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C11H16N4O2/c1-7(6-12)10(16)14-8-3-2-4-9(5-8)15-11(13)17/h2-5,7H,6,12H2,1H3,(H,14,16)(H3,13,15,17)
InChIKeyPWBCAGYFBIQLAZ-UHFFFAOYSA-N
XLogP0.71
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide
CID 55110387
methyl N-[3-[(3-amino-2-methylpropanoyl)amino]phenyl]carbamate
CID 62670350
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986
2-amino-N-[3-(carbamoylamino)phenyl]butanamide
CID 43710987
(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride
CID 119277862
3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 55104793
2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76888107
[3-(methylamino)phenyl]urea
CID 23558981
3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119702026
[3-(3-methylbutylamino)phenyl]urea
CID 43744542
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide?
The IUPAC name of 3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide (CID 62670686) is 3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide is CC(CN)C(=O)Nc1cccc(NC(N)=O)c1.
What is the InChIKey of 3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide?
The InChIKey is PWBCAGYFBIQLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7(6-12)10(16)14-8-3-2-4-9(5-8)15-11(13)17/h2-5,7H,6,12H2,1H3,(H,14,16)(H3,13,15,17).
What are the key properties of 3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide?
3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide has a molecular weight of 236.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide is sourced from PubChem (CID 62670686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).