2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide

C15H21N3O2 — CID 119800266

IUPAC2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide
SMILESCNC(=O)c1cc(C)ccc1NC(=O)CNCC1CC1
InChIInChI=1S/C15H21N3O2/c1-10-3-6-13(12(7-10)15(20)16-2)18-14(19)9-17-8-11-4-5-11/h3,6-7,11,17H,4-5,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyZXQUKJPLPRTEJQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.29
Rot. Bonds6

About 2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide

2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide (PubChem CID 119800266) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide.

Molecular Properties

Compound Name2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide
PubChem CID119800266
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide
SMILESCNC(=O)c1cc(C)ccc1NC(=O)CNCC1CC1
InChIInChI=1S/C15H21N3O2/c1-10-3-6-13(12(7-10)15(20)16-2)18-14(19)9-17-8-11-4-5-11/h3,6-7,11,17H,4-5,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyZXQUKJPLPRTEJQ-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,3-dimethylbenzamide
CID 60868336
2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119726882
N,5-dimethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119800275
5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride
CID 119770124
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide
CID 60868348
2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 54924927
5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119711773
5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119711772
2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide
CID 60866035
N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide
CID 114259911

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide?
The IUPAC name of 2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide (CID 119800266) is 2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide.
What is the SMILES notation for 2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide?
The canonical SMILES for 2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide is CNC(=O)c1cc(C)ccc1NC(=O)CNCC1CC1.
What is the InChIKey of 2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide?
The InChIKey is ZXQUKJPLPRTEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-3-6-13(12(7-10)15(20)16-2)18-14(19)9-17-8-11-4-5-11/h3,6-7,11,17H,4-5,8-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide?
2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-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 2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide is sourced from PubChem (CID 119800266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).