2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide

C16H25ClN2O2 — CID 60949486

IUPAC2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide
SMILESCOCCN(CCCN(C)C)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C16H25ClN2O2/c1-18(2)10-7-11-19(12-13-21-3)16(20)15(17)14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3
InChIKeyOOTPJYVNYXZAAY-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.39
Rot. Bonds9

About 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide

2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide (PubChem CID 60949486) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide
PubChem CID60949486
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide
SMILESCOCCN(CCCN(C)C)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C16H25ClN2O2/c1-18(2)10-7-11-19(12-13-21-3)16(20)15(17)14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3
InChIKeyOOTPJYVNYXZAAY-UHFFFAOYSA-N
XLogP2.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949363
methyl 3-[(2-chloro-2-phenylacetyl)-(2-methoxyethyl)amino]propanoate
CID 115534215
2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide
CID 82960088
1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea
CID 38283609
2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
CID 101188921
2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 3263865
methyl 2-[[[(2R)-2-chloro-2-phenylacetyl]-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 7405528
2-amino-N-[3-(dimethylamino)propyl]-3-methoxy-N-(2-methoxyethyl)propanamide
CID 81089239
2-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)butanediamide
CID 54874249
(2R)-2-amino-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949185
2-[[(2-chloro-2-phenylacetyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 4637822
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 104897454

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide (CID 60949486) is 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide is COCCN(CCCN(C)C)C(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide?
The InChIKey is OOTPJYVNYXZAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-18(2)10-7-11-19(12-13-21-3)16(20)15(17)14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3.
What are the key properties of 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide?
2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide has a molecular weight of 312.84 g/mol, XLogP of 2.39, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide is sourced from PubChem (CID 60949486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).