4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide

C15H21N3O2 — CID 60868336

IUPAC4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CNCC2CC2)c(C)c1
InChIInChI=1S/C15H21N3O2/c1-10-7-12(15(20)16-2)5-6-13(10)18-14(19)9-17-8-11-3-4-11/h5-7,11,17H,3-4,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyPLALDPAJTSTWEB-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.29
Rot. Bonds6

About 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide

4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide (PubChem CID 60868336) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide
PubChem CID60868336
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CNCC2CC2)c(C)c1
InChIInChI=1S/C15H21N3O2/c1-10-7-12(15(20)16-2)5-6-13(10)18-14(19)9-17-8-11-3-4-11/h5-7,11,17H,3-4,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyPLALDPAJTSTWEB-UHFFFAOYSA-N
XLogP1.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide
CID 60868348
2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 54924927
2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide
CID 119800266
4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide
CID 60868168
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 60867288
N,3-dimethyl-4-[[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]amino]benzamide
CID 131931613
4-(butanoylamino)-N,3-dimethylbenzamide
CID 61216786
4-[2-methyl-4-(methylcarbamoyl)anilino]-4-oxobutanoic acid
CID 54868212
3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride
CID 119712027
4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide
CID 79204777
4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide
CID 61215739

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide (CID 60868336) is 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(NC(=O)CNCC2CC2)c(C)c1.
What is the InChIKey of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide?
The InChIKey is PLALDPAJTSTWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-7-12(15(20)16-2)5-6-13(10)18-14(19)9-17-8-11-3-4-11/h5-7,11,17H,3-4,8-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide?
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide is sourced from PubChem (CID 60868336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).