2-amino-4-(cyclopropylmethylamino)-N,N-diethylbenzamide

C15H23N3O — CID 141057152

IUPAC2-amino-4-(cyclopropylmethylamino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NCC2CC2)cc1N
InChIInChI=1S/C15H23N3O/c1-3-18(4-2)15(19)13-8-7-12(9-14(13)16)17-10-11-5-6-11/h7-9,11,17H,3-6,10,16H2,1-2H3
InChIKeyCMRAPCDIVJFQPC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.57
Rot. Bonds6

About 2-amino-4-(cyclopropylmethylamino)-N,N-diethylbenzamide

2-amino-4-(cyclopropylmethylamino)-N,N-diethylbenzamide (PubChem CID 141057152) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-4-(cyclopropylmethylamino)-N,N-diethylbenzamide.

Molecular Properties

Compound Name2-amino-4-(cyclopropylmethylamino)-N,N-diethylbenzamide
PubChem CID141057152
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-4-(cyclopropylmethylamino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NCC2CC2)cc1N
InChIInChI=1S/C15H23N3O/c1-3-18(4-2)15(19)13-8-7-12(9-14(13)16)17-10-11-5-6-11/h7-9,11,17H,3-6,10,16H2,1-2H3
InChIKeyCMRAPCDIVJFQPC-UHFFFAOYSA-N
XLogP2.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone
CID 104528374
3-(cyclohexylmethylamino)-N,N-diethylbenzamide
CID 43081416
2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 61093678
2,4-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107401
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 79714030
1-[2-amino-5-(thian-4-ylmethylamino)phenyl]ethanone
CID 113487267
4-(cyclopropylmethylamino)-2-methylbenzenecarbothioamide
CID 81278832
2-amino-4-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 104500472
2-amino-N,N-diethyl-4,5-dimethoxybenzamide
CID 16776188
ethyl 4-(cyclopropylmethylamino)benzoate
CID 43654962
2-methyl-4-(piperidin-4-ylmethylamino)benzamide
CID 81279242

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyclopropylmethylamino)-N,N-diethylbenzamide?
The IUPAC name of 2-amino-4-(cyclopropylmethylamino)-N,N-diethylbenzamide (CID 141057152) is 2-amino-4-(cyclopropylmethylamino)-N,N-diethylbenzamide.
What is the SMILES notation for 2-amino-4-(cyclopropylmethylamino)-N,N-diethylbenzamide?
The canonical SMILES for 2-amino-4-(cyclopropylmethylamino)-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NCC2CC2)cc1N.
What is the InChIKey of 2-amino-4-(cyclopropylmethylamino)-N,N-diethylbenzamide?
The InChIKey is CMRAPCDIVJFQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-18(4-2)15(19)13-8-7-12(9-14(13)16)17-10-11-5-6-11/h7-9,11,17H,3-6,10,16H2,1-2H3.
What are the key properties of 2-amino-4-(cyclopropylmethylamino)-N,N-diethylbenzamide?
2-amino-4-(cyclopropylmethylamino)-N,N-diethylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyclopropylmethylamino)-N,N-diethylbenzamide is sourced from PubChem (CID 141057152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).