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

C14H21N3O — CID 114107499

IUPAC3-amino-4-[(2-ethylcyclopropyl)amino]-N,N-dimethylbenzamide
SMILESCCC1CC1Nc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C14H21N3O/c1-4-9-8-13(9)16-12-6-5-10(7-11(12)15)14(18)17(2)3/h5-7,9,13,16H,4,8,15H2,1-3H3
InChIKeyYJXLXFKCIWOYQE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.18
Rot. Bonds4

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

3-amino-4-[(2-ethylcyclopropyl)amino]-N,N-dimethylbenzamide (PubChem CID 114107499) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-amino-4-[(2-ethylcyclopropyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(2-ethylcyclopropyl)amino]-N,N-dimethylbenzamide
PubChem CID114107499
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-amino-4-[(2-ethylcyclopropyl)amino]-N,N-dimethylbenzamide
SMILESCCC1CC1Nc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C14H21N3O/c1-4-9-8-13(9)16-12-6-5-10(7-11(12)15)14(18)17(2)3/h5-7,9,13,16H,4,8,15H2,1-3H3
InChIKeyYJXLXFKCIWOYQE-UHFFFAOYSA-N
XLogP2.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.18
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

3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide
CID 106358993
3-amino-N-ethyl-4-[(2-methylcyclopropyl)amino]benzamide
CID 82999769
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide
CID 82992240
3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
CID 82989916
3-amino-4-[(3-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 82992028
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637
3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide
CID 82989654
3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide
CID 82991043
3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide
CID 103811291
4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 63360878
3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide
CID 106022696
3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide
CID 82991324

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-ethylcyclopropyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-[(2-ethylcyclopropyl)amino]-N,N-dimethylbenzamide (CID 114107499) is 3-amino-4-[(2-ethylcyclopropyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-[(2-ethylcyclopropyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-[(2-ethylcyclopropyl)amino]-N,N-dimethylbenzamide is CCC1CC1Nc1ccc(C(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-4-[(2-ethylcyclopropyl)amino]-N,N-dimethylbenzamide?
The InChIKey is YJXLXFKCIWOYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-9-8-13(9)16-12-6-5-10(7-11(12)15)14(18)17(2)3/h5-7,9,13,16H,4,8,15H2,1-3H3.
What are the key properties of 3-amino-4-[(2-ethylcyclopropyl)amino]-N,N-dimethylbenzamide?
3-amino-4-[(2-ethylcyclopropyl)amino]-N,N-dimethylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-ethylcyclopropyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 114107499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).