N-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride

C13H21ClN4O2 — CID 119521783

IUPACN-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1ccc(CNC(N)=O)cc1.Cl
InChIInChI=1S/C13H20N4O2.ClH/c1-13(2,8-14)17-11(18)10-5-3-9(4-6-10)7-16-12(15)19;/h3-6H,7-8,14H2,1-2H3,(H,17,18)(H3,15,16,19);1H
InChIKeyIPUWDBJIXBAQEG-UHFFFAOYSA-N
MW300.79 g/mol
LogP0.74
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride (PubChem CID 119521783) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride
PubChem CID119521783
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1ccc(CNC(N)=O)cc1.Cl
InChIInChI=1S/C13H20N4O2.ClH/c1-13(2,8-14)17-11(18)10-5-3-9(4-6-10)7-16-12(15)19;/h3-6H,7-8,14H2,1-2H3,(H,17,18)(H3,15,16,19);1H
InChIKeyIPUWDBJIXBAQEG-UHFFFAOYSA-N
XLogP0.74
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetamidomethyl)-N-(1-amino-2-methylpropan-2-yl)benzamide
CID 119522347
N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide
CID 119626305
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
N-(1-amino-2-methylpropan-2-yl)-4-(methoxymethyl)benzamide
CID 119524261
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate
CID 43406999
N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride
CID 119522848
N-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride
CID 119521328
N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride
CID 130650761
4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031405
3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119523948
N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119574500
N-(1-amino-2-methylpropan-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119521599

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride (CID 119521783) is N-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride is CC(C)(CN)NC(=O)c1ccc(CNC(N)=O)cc1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride?
The InChIKey is IPUWDBJIXBAQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2.ClH/c1-13(2,8-14)17-11(18)10-5-3-9(4-6-10)7-16-12(15)19;/h3-6H,7-8,14H2,1-2H3,(H,17,18)(H3,15,16,19);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 0.74, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119521783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).