3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide

C17H19N3O2 — CID 26309834

IUPAC3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1[C@@H](C)NC(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C17H19N3O2/c1-11-6-3-4-9-15(11)12(2)19-16(21)13-7-5-8-14(10-13)20-17(18)22/h3-10,12H,1-2H3,(H,19,21)(H3,18,20,22)/t12-/m1/s1
InChIKeyKBOMCWWXOYDLTF-GFCCVEGCSA-N
MW297.36 g/mol
LogP2.98
Rot. Bonds4

About 3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide

3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide (PubChem CID 26309834) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
PubChem CID26309834
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1[C@@H](C)NC(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C17H19N3O2/c1-11-6-3-4-9-15(11)12(2)19-16(21)13-7-5-8-14(10-13)20-17(18)22/h3-10,12H,1-2H3,(H,19,21)(H3,18,20,22)/t12-/m1/s1
InChIKeyKBOMCWWXOYDLTF-GFCCVEGCSA-N
XLogP2.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 60638374
4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 51175514
N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 132663234
N-[1-(2-methylphenyl)ethyl]-3-nitrobenzamide
CID 51149229
3,4-dihydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 103955435
4-acetamido-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
CID 51456710
3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
CID 51938666
ethane;methyl 2-[[3-(carbamoylamino)benzoyl]amino]-3-methylbutanoate
CID 162429349
2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346
N-(3-aminobutyl)-3-(carbamoylamino)benzamide
CID 119496000
3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111876
2-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326314

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide (CID 26309834) is 3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide is Cc1ccccc1[C@@H](C)NC(=O)c1cccc(NC(N)=O)c1.
What is the InChIKey of 3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide?
The InChIKey is KBOMCWWXOYDLTF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-6-3-4-9-15(11)12(2)19-16(21)13-7-5-8-14(10-13)20-17(18)22/h3-10,12H,1-2H3,(H,19,21)(H3,18,20,22)/t12-/m1/s1.
What are the key properties of 3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide?
3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide has a molecular weight of 297.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 26309834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).