2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide

C14H17N3O — CID 61139154

IUPAC2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C14H17N3O/c1-10-4-2-5-12(16)13(10)14(18)17(9-3-8-15)11-6-7-11/h2,4-5,11H,3,6-7,9,16H2,1H3
InChIKeyUPXMIHSZGKAYTC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.10
Rot. Bonds4

About 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide

2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide (PubChem CID 61139154) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide
PubChem CID61139154
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C14H17N3O/c1-10-4-2-5-12(16)13(10)14(18)17(9-3-8-15)11-6-7-11/h2,4-5,11H,3,6-7,9,16H2,1H3
InChIKeyUPXMIHSZGKAYTC-UHFFFAOYSA-N
XLogP2.10
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide
CID 54997264
2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide
CID 61114023
N-(2-cyanoethyl)-N-cyclopropyl-2-iodo-3-methylbenzamide
CID 113239856
2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide
CID 61108963
2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 61113549
2,4-diamino-N-(2-cyanoethyl)-N-cyclopropylbenzamide
CID 61126513
6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide
CID 62159894
N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide
CID 54997505
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide
CID 54982144
2-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-nitrobenzamide
CID 62162101
N-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide
CID 62919298
N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide
CID 114820604

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide (CID 61139154) is 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide is Cc1cccc(N)c1C(=O)N(CCC#N)C1CC1.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide?
The InChIKey is UPXMIHSZGKAYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-2-5-12(16)13(10)14(18)17(9-3-8-15)11-6-7-11/h2,4-5,11H,3,6-7,9,16H2,1H3.
What are the key properties of 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide?
2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide has a molecular weight of 243.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide is sourced from PubChem (CID 61139154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).