4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide

C14H21N3O2 — CID 63360938

IUPAC4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(N(CCO)C2CC2)c1
InChIInChI=1S/C14H21N3O2/c1-16(2)14(19)10-3-6-12(15)13(9-10)17(7-8-18)11-4-5-11/h3,6,9,11,18H,4-5,7-8,15H2,1-2H3
InChIKeyMFFZZZPUPYWAMU-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.93
Rot. Bonds5

About 4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide

4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide (PubChem CID 63360938) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide
PubChem CID63360938
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(N(CCO)C2CC2)c1
InChIInChI=1S/C14H21N3O2/c1-16(2)14(19)10-3-6-12(15)13(9-10)17(7-8-18)11-4-5-11/h3,6,9,11,18H,4-5,7-8,15H2,1-2H3
InChIKeyMFFZZZPUPYWAMU-UHFFFAOYSA-N
XLogP0.93
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide
CID 63360545
3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide
CID 82992948
4-amino-3-[cyclopropyl(propyl)amino]benzamide
CID 55188930
methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 82785230
ethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate
CID 54995082
2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol
CID 102859536
methyl 4-amino-3-[cyclopropyl(3-methylbutyl)amino]benzoate
CID 82785994
4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide
CID 78930092
methyl 3-amino-4-[cyclobutyl(2-hydroxyethyl)amino]benzoate
CID 102868394
4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide
CID 63360563
4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360739
4-[cyclobutyl(2-hydroxyethyl)amino]-3-methylbenzoic acid
CID 102863218

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide (CID 63360938) is 4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)c(N(CCO)C2CC2)c1.
What is the InChIKey of 4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide?
The InChIKey is MFFZZZPUPYWAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16(2)14(19)10-3-6-12(15)13(9-10)17(7-8-18)11-4-5-11/h3,6,9,11,18H,4-5,7-8,15H2,1-2H3.
What are the key properties of 4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide?
4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 63360938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).