4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide

C13H18N2O — CID 63956122

IUPAC4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
SMILESCCN(CC1CC1)C(=O)c1ccc(N)cc1
InChIInChI=1S/C13H18N2O/c1-2-15(9-10-3-4-10)13(16)11-5-7-12(14)8-6-11/h5-8,10H,2-4,9,14H2,1H3
InChIKeyAYGHYDZDRNKORF-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.14
Rot. Bonds4

About 4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide

4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide (PubChem CID 63956122) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
PubChem CID63956122
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
SMILESCCN(CC1CC1)C(=O)c1ccc(N)cc1
InChIInChI=1S/C13H18N2O/c1-2-15(9-10-3-4-10)13(16)11-5-7-12(14)8-6-11/h5-8,10H,2-4,9,14H2,1H3
InChIKeyAYGHYDZDRNKORF-UHFFFAOYSA-N
XLogP2.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63954686
4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide
CID 63956728
3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63955717
2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
CID 63939345
4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide
CID 119733265
4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107397605
5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107396879
N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide
CID 63979001
5-amino-N-(cyclopropylmethyl)-N-ethyl-2-nitrobenzamide
CID 63939918
5-amino-N-(cyclopropylmethyl)-N-ethyl-1-benzothiophene-2-carboxamide
CID 63954077
N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63954344
N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide
CID 107728572

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide?
The IUPAC name of 4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide (CID 63956122) is 4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide.
What is the SMILES notation for 4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide?
The canonical SMILES for 4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide is CCN(CC1CC1)C(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide?
The InChIKey is AYGHYDZDRNKORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-15(9-10-3-4-10)13(16)11-5-7-12(14)8-6-11/h5-8,10H,2-4,9,14H2,1H3.
What are the key properties of 4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide?
4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide has a molecular weight of 218.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide is sourced from PubChem (CID 63956122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).