2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide

C16H24ClN3O — CID 81144235

IUPAC2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1ccc(CNC2CC2)cc1Cl
InChIInChI=1S/C16H24ClN3O/c1-3-18-16(21)11-20(4-2)15-8-5-12(9-14(15)17)10-19-13-6-7-13/h5,8-9,13,19H,3-4,6-7,10-11H2,1-2H3,(H,18,21)
InChIKeyGKQDEOFXYVLOEQ-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.55
Rot. Bonds8

About 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide

2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide (PubChem CID 81144235) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide
PubChem CID81144235
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1ccc(CNC2CC2)cc1Cl
InChIInChI=1S/C16H24ClN3O/c1-3-18-16(21)11-20(4-2)15-8-5-12(9-14(15)17)10-19-13-6-7-13/h5,8-9,13,19H,3-4,6-7,10-11H2,1-2H3,(H,18,21)
InChIKeyGKQDEOFXYVLOEQ-UHFFFAOYSA-N
XLogP2.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide
CID 81143504
2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide
CID 67148598
3-chloro-4-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]benzoic acid
CID 81152000
2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide
CID 81149499
2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline
CID 81148855
2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline
CID 81149552
2-chloro-4-[(cyclopropylamino)methyl]benzoic acid
CID 117219988
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)aniline
CID 81149641
2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide
CID 80629554
2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol
CID 102633000
2-chloro-N-(cyclopentylmethyl)-4-[(cyclopropylamino)methyl]-N-methylaniline
CID 81149052
2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 43278862

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide?
The IUPAC name of 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide (CID 81144235) is 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide.
What is the SMILES notation for 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide?
The canonical SMILES for 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide is CCNC(=O)CN(CC)c1ccc(CNC2CC2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide?
The InChIKey is GKQDEOFXYVLOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-18-16(21)11-20(4-2)15-8-5-12(9-14(15)17)10-19-13-6-7-13/h5,8-9,13,19H,3-4,6-7,10-11H2,1-2H3,(H,18,21).
What are the key properties of 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide?
2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide has a molecular weight of 309.84 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide is sourced from PubChem (CID 81144235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).