N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

C13H19N3O2 — CID 47116390

IUPACN-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCNC(=O)c1ccc(CNC(=O)NC(C)C)cc1
InChIInChI=1S/C13H19N3O2/c1-9(2)16-13(18)15-8-10-4-6-11(7-5-10)12(17)14-3/h4-7,9H,8H2,1-3H3,(H,14,17)(H2,15,16,18)
InChIKeyDJSVJVSTIINAIO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.25
Rot. Bonds4

About N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (PubChem CID 47116390) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
PubChem CID47116390
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCNC(=O)c1ccc(CNC(=O)NC(C)C)cc1
InChIInChI=1S/C13H19N3O2/c1-9(2)16-13(18)15-8-10-4-6-11(7-5-10)12(17)14-3/h4-7,9H,8H2,1-3H3,(H,14,17)(H2,15,16,18)
InChIKeyDJSVJVSTIINAIO-UHFFFAOYSA-N
XLogP1.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9207204
N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 33101638
1-[[4-(benzamidocarbamoyl)phenyl]methyl]-3-propan-2-ylurea
CID 40727881
N-methyl-4-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]benzamide
CID 111125420
1-[(4-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47216081
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9227810
N-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide
CID 42891543
N-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9453639
N-(3,5-dichlorophenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9206376
1-[[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]methyl]-3-propan-2-ylurea
CID 9274115
4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide
CID 134006337
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9369212

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The IUPAC name of N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (CID 47116390) is N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.
What is the SMILES notation for N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The canonical SMILES for N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is CNC(=O)c1ccc(CNC(=O)NC(C)C)cc1.
What is the InChIKey of N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The InChIKey is DJSVJVSTIINAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)16-13(18)15-8-10-4-6-11(7-5-10)12(17)14-3/h4-7,9H,8H2,1-3H3,(H,14,17)(H2,15,16,18).
What are the key properties of N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide has a molecular weight of 249.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is sourced from PubChem (CID 47116390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).