3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide

C16H23N3O2 — CID 60867288

IUPAC3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)CNCC2CC2)c1
InChIInChI=1S/C16H23N3O2/c1-3-18-16(21)13-7-4-11(2)14(8-13)19-15(20)10-17-9-12-5-6-12/h4,7-8,12,17H,3,5-6,9-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyCENRCSPFGXRLAG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.68
Rot. Bonds7

About 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide

3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide (PubChem CID 60867288) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
PubChem CID60867288
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)CNCC2CC2)c1
InChIInChI=1S/C16H23N3O2/c1-3-18-16(21)13-7-4-11(2)14(8-13)19-15(20)10-17-9-12-5-6-12/h4,7-8,12,17H,3,5-6,9-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyCENRCSPFGXRLAG-UHFFFAOYSA-N
XLogP1.68
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride
CID 119712027
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide
CID 60868336
5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride
CID 119770124
N-ethyl-4-[[2-(2-methoxyethylamino)acetyl]amino]-3-methylbenzamide;hydrochloride
CID 119714198
3-(7-aminoheptanoylamino)-N-ethyl-4-methylbenzamide
CID 119714202
2-(cyclopropylmethylamino)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 60866226
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 87001573
3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide
CID 103154850
2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941507
ethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride
CID 119672274
N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide
CID 136549708

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide (CID 60867288) is 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide is CCNC(=O)c1ccc(C)c(NC(=O)CNCC2CC2)c1.
What is the InChIKey of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide?
The InChIKey is CENRCSPFGXRLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-18-16(21)13-7-4-11(2)14(8-13)19-15(20)10-17-9-12-5-6-12/h4,7-8,12,17H,3,5-6,9-10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide?
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 60867288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).