2-amino-3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide

C17H27ClN2O3 — CID 67340778

IUPAC2-amino-3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide
SMILESCCOC(CN(CC)C(=O)C(N)Cc1ccc(Cl)cc1)OCC
InChIInChI=1S/C17H27ClN2O3/c1-4-20(12-16(22-5-2)23-6-3)17(21)15(19)11-13-7-9-14(18)10-8-13/h7-10,15-16H,4-6,11-12,19H2,1-3H3
InChIKeyCCMQQCWSANCNNU-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.46
Rot. Bonds10

About 2-amino-3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide

2-amino-3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide (PubChem CID 67340778) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-amino-3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-amino-3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide
PubChem CID67340778
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name2-amino-3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide
SMILESCCOC(CN(CC)C(=O)C(N)Cc1ccc(Cl)cc1)OCC
InChIInChI=1S/C17H27ClN2O3/c1-4-20(12-16(22-5-2)23-6-3)17(21)15(19)11-13-7-9-14(18)10-8-13/h7-10,15-16H,4-6,11-12,19H2,1-3H3
InChIKeyCCMQQCWSANCNNU-UHFFFAOYSA-N
XLogP2.46
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide
CID 138469613
(2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 163240345
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide
CID 114350573
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
CID 827422
3-(4-chlorophenyl)-1,1-diethoxypropan-2-amine
CID 79496455
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide
CID 103101968
tert-butyl N-[(2S)-1-[benzyl(2,2-diethoxyethyl)amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]carbamate
CID 139757414
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76904317
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-ethyl-N-(2-methylpropyl)propanamide
CID 61156232
3-(4-chlorophenyl)-2-ethoxypropanoic acid
CID 84726078

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide?
The IUPAC name of 2-amino-3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide (CID 67340778) is 2-amino-3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide.
What is the SMILES notation for 2-amino-3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide?
The canonical SMILES for 2-amino-3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide is CCOC(CN(CC)C(=O)C(N)Cc1ccc(Cl)cc1)OCC.
What is the InChIKey of 2-amino-3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide?
The InChIKey is CCMQQCWSANCNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O3/c1-4-20(12-16(22-5-2)23-6-3)17(21)15(19)11-13-7-9-14(18)10-8-13/h7-10,15-16H,4-6,11-12,19H2,1-3H3.
What are the key properties of 2-amino-3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide?
2-amino-3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide has a molecular weight of 342.87 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide is sourced from PubChem (CID 67340778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).