2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide

C13H20N4O2 — CID 76888107

IUPAC2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)10(14)11(18)16-8-5-4-6-9(7-8)17-12(15)19/h4-7,10H,14H2,1-3H3,(H,16,18)(H3,15,17,19)
InChIKeyXWLBOJCORNTWCK-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.49
Rot. Bonds3

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

2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide (PubChem CID 76888107) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
PubChem CID76888107
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)10(14)11(18)16-8-5-4-6-9(7-8)17-12(15)19/h4-7,10H,14H2,1-3H3,(H,16,18)(H3,15,17,19)
InChIKeyXWLBOJCORNTWCK-UHFFFAOYSA-N
XLogP1.49
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
(2S)-2-amino-N-(3-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670393
(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride
CID 119277862
(2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride
CID 119686872
(2S)-2-amino-3,3-dimethyl-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
CID 119671133
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 119688794
3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide
CID 76887735
2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887533
(2S)-2-amino-3,3-dimethyl-N-(3-methylsulfinylphenyl)butanamide;hydrochloride
CID 119743912
(2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide
CID 119794996
2-amino-N-[3-(carbamoylamino)phenyl]butanamide
CID 43710987

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide (CID 76888107) is 2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)Nc1cccc(NC(N)=O)c1.
What is the InChIKey of 2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide?
The InChIKey is XWLBOJCORNTWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)10(14)11(18)16-8-5-4-6-9(7-8)17-12(15)19/h4-7,10H,14H2,1-3H3,(H,16,18)(H3,15,17,19).
What are the key properties of 2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide?
2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide has a molecular weight of 264.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 76888107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).