N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide

C13H19ClN2O2 — CID 62588977

IUPACN-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide
SMILESCCOCCC(=O)N(C)Cc1cc(N)ccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-3-18-7-6-13(17)16(2)9-10-8-11(15)4-5-12(10)14/h4-5,8H,3,6-7,9,15H2,1-2H3
InChIKeyBGBXKOSNPPEXGY-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.31
Rot. Bonds6

About N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide

N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide (PubChem CID 62588977) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide
PubChem CID62588977
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide
SMILESCCOCCC(=O)N(C)Cc1cc(N)ccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-3-18-7-6-13(17)16(2)9-10-8-11(15)4-5-12(10)14/h4-5,8H,3,6-7,9,15H2,1-2H3
InChIKeyBGBXKOSNPPEXGY-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide
CID 62589156
methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
CID 43551425
N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide
CID 114457040
N-[(3,4-dichlorophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 86990999
3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 61117836
4-bromo-3-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 115297795
N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide
CID 43549697
N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 106826067
2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 55157213
3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide
CID 47002615
N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43549722
N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide
CID 63010284

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide?
The IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide (CID 62588977) is N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide.
What is the SMILES notation for N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide?
The canonical SMILES for N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide is CCOCCC(=O)N(C)Cc1cc(N)ccc1Cl.
What is the InChIKey of N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide?
The InChIKey is BGBXKOSNPPEXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-18-7-6-13(17)16(2)9-10-8-11(15)4-5-12(10)14/h4-5,8H,3,6-7,9,15H2,1-2H3.
What are the key properties of N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide?
N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide has a molecular weight of 270.76 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide is sourced from PubChem (CID 62588977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).