N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide

C13H20N4O2 — CID 119626305

IUPACN-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide
SMILESCC(C)(N)CNC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C13H20N4O2/c1-13(2,15)8-17-11(18)10-5-3-9(4-6-10)7-16-12(14)19/h3-6H,7-8,15H2,1-2H3,(H,17,18)(H3,14,16,19)
InChIKeyYIIIQHHFTKNNFU-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.32
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide

N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide (PubChem CID 119626305) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide
PubChem CID119626305
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide
SMILESCC(C)(N)CNC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C13H20N4O2/c1-13(2,15)8-17-11(18)10-5-3-9(4-6-10)7-16-12(14)19/h3-6H,7-8,15H2,1-2H3,(H,17,18)(H3,14,16,19)
InChIKeyYIIIQHHFTKNNFU-UHFFFAOYSA-N
XLogP0.32
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119626861
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate
CID 43406999
N-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride
CID 119521783
N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride
CID 119629575
4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031405
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119630029
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119630213
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]propanoate
CID 60669043
4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79027939
(2S)-3-[[4-[(carbamoylamino)methyl]benzoyl]amino]-2-hydroxypropanoic acid
CID 107833643

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide (CID 119626305) is N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide is CC(C)(N)CNC(=O)c1ccc(CNC(N)=O)cc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide?
The InChIKey is YIIIQHHFTKNNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,15)8-17-11(18)10-5-3-9(4-6-10)7-16-12(14)19/h3-6H,7-8,15H2,1-2H3,(H,17,18)(H3,14,16,19).
What are the key properties of N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide?
N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide has a molecular weight of 264.33 g/mol, XLogP of 0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide is sourced from PubChem (CID 119626305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).