N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide

C16H25ClN2O — CID 34948840

IUPACN-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
SMILESCCCC(=O)NC[C@@H](c1ccccc1Cl)N(CC)CC
InChIInChI=1S/C16H25ClN2O/c1-4-9-16(20)18-12-15(19(5-2)6-3)13-10-7-8-11-14(13)17/h7-8,10-11,15H,4-6,9,12H2,1-3H3,(H,18,20)/t15-/m0/s1
InChIKeyVZJFZEVHRHUEBT-HNNXBMFYSA-N
MW296.84 g/mol
LogP3.64
Rot. Bonds8

About N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide

N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide (PubChem CID 34948840) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
PubChem CID34948840
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
SMILESCCCC(=O)NC[C@@H](c1ccccc1Cl)N(CC)CC
InChIInChI=1S/C16H25ClN2O/c1-4-9-16(20)18-12-15(19(5-2)6-3)13-10-7-8-11-14(13)17/h7-8,10-11,15H,4-6,9,12H2,1-3H3,(H,18,20)/t15-/m0/s1
InChIKeyVZJFZEVHRHUEBT-HNNXBMFYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]carbamate
CID 43044946
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 46522484
N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]furan-3-carboxamide
CID 46430168
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56547079
2-(6-chloro-2-methyl-3-pyridinyl)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide
CID 97099413
3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120502499
3-chloro-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]benzamide
CID 18280256
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 34948899
N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide
CID 111451181
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybenzamide
CID 42279457
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1H-indazole-3-carboxamide
CID 18288172
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide
CID 86930265

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide (CID 34948840) is N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide is CCCC(=O)NC[C@@H](c1ccccc1Cl)N(CC)CC.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide?
The InChIKey is VZJFZEVHRHUEBT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-9-16(20)18-12-15(19(5-2)6-3)13-10-7-8-11-14(13)17/h7-8,10-11,15H,4-6,9,12H2,1-3H3,(H,18,20)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide?
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide has a molecular weight of 296.84 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide is sourced from PubChem (CID 34948840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).