2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]butanamide

C20H34ClN3O — CID 12612301

IUPAC2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]butanamide
SMILESCC(C)N(CCC(CCN(C)C)(C(N)=O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C20H34ClN3O/c1-15(2)24(16(3)4)14-12-20(19(22)25,11-13-23(5)6)17-9-7-8-10-18(17)21/h7-10,15-16H,11-14H2,1-6H3,(H2,22,25)
InChIKeyMDMJDPHBWLEHAF-UHFFFAOYSA-N
MW367.97 g/mol
LogP3.52
Rot. Bonds10

About 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]butanamide

2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]butanamide (PubChem CID 12612301) has the molecular formula C20H34ClN3O and a molecular weight of 367.97 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]butanamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]butanamide
PubChem CID12612301
Molecular FormulaC20H34ClN3O
Molecular Weight367.97 g/mol
Exact Mass367.24
IUPAC Name2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]butanamide
SMILESCC(C)N(CCC(CCN(C)C)(C(N)=O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C20H34ClN3O/c1-15(2)24(16(3)4)14-12-20(19(22)25,11-13-23(5)6)17-9-7-8-10-18(17)21/h7-10,15-16H,11-14H2,1-6H3,(H2,22,25)
InChIKeyMDMJDPHBWLEHAF-UHFFFAOYSA-N
XLogP3.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.97
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Isopropamide
CID 3775
Isopropamide Iodide
CID 6284
Aminopentamide
CID 22565
Bidisomide
CID 59798
Butyramide, 4-diisopropylamino-2,2-diphenyl-
CID 38310
Disobutamide
CID 68566
(1R,2S)-2-(Aminomethyl)-1-(3-chlorophenyl)-N,N-diethylcyclopropane-1-carboxamide--hydrogen chloride (1/1)
CID 13718701
(1R,2S)-2-(Aminomethyl)-1-(4-chlorophenyl)-N,N-diethylcyclopropane-1-carboxamide--hydrogen chloride (1/1)
CID 13718703
cis-(1S,2R)-2-(aminomethyl)-1-(3-chlorophenyl)-N,N-diethylcyclopropane-1-carboxamide;hydrochloride
CID 49797287
cis-(1S,2R)-2-(aminomethyl)-1-(4-chlorophenyl)-N,N-diethylcyclopropane-1-carboxamide;hydrochloride
CID 49797288
Aminopentamide Hydrochloride
CID 22564
Isopropamide bromide
CID 27927

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]butanamide?
The IUPAC name of 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]butanamide (CID 12612301) is 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]butanamide.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]butanamide?
The canonical SMILES for 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]butanamide is CC(C)N(CCC(CCN(C)C)(C(N)=O)c1ccccc1Cl)C(C)C.
What is the InChIKey of 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]butanamide?
The InChIKey is MDMJDPHBWLEHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34ClN3O/c1-15(2)24(16(3)4)14-12-20(19(22)25,11-13-23(5)6)17-9-7-8-10-18(17)21/h7-10,15-16H,11-14H2,1-6H3,(H2,22,25).
What are the key properties of 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]butanamide?
2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]butanamide has a molecular weight of 367.97 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]butanamide is sourced from PubChem (CID 12612301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).