2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide

C13H20N4O2 — CID 76887492

IUPAC2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)10(14)11(18)16-8-4-6-9(7-5-8)17-12(15)19/h4-7,10H,14H2,1-3H3,(H,16,18)(H3,15,17,19)
InChIKeyWYNBMQQIDHLIPB-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.49
Rot. Bonds3

About 2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide

2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide (PubChem CID 76887492) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
PubChem CID76887492
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)10(14)11(18)16-8-4-6-9(7-5-8)17-12(15)19/h4-7,10H,14H2,1-3H3,(H,16,18)(H3,15,17,19)
InChIKeyWYNBMQQIDHLIPB-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

2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76888107
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670354
methyl N-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 61179916
methyl N-[4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 103928929
2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide
CID 76887665
(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
CID 61149357
(2S)-2-amino-3,3-dimethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]butanamide
CID 119704534
N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide
CID 76896604
2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 76892558
(2R)-2-amino-3,3-dimethyl-N-(4-nitrophenyl)butanamide
CID 103928418
(2S)-2-amino-3,3-dimethyl-N-(4-pyridin-4-ylphenyl)butanamide
CID 175833956

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide (CID 76887492) is 2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)Nc1ccc(NC(N)=O)cc1.
What is the InChIKey of 2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide?
The InChIKey is WYNBMQQIDHLIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)10(14)11(18)16-8-4-6-9(7-5-8)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-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide?
2-amino-N-[4-(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-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 76887492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).