N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride

C14H22Cl2N2O — CID 3066358

IUPACN-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride
SMILESCCN(CC)CCC(=O)Nc1ccc(Cl)cc1C.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-4-17(5-2)9-8-14(18)16-13-7-6-12(15)10-11(13)3;/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18);1H
InChIKeyMVAMSGKMEMHZGI-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.74
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride

N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride (PubChem CID 3066358) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride
PubChem CID3066358
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride
SMILESCCN(CC)CCC(=O)Nc1ccc(Cl)cc1C.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-4-17(5-2)9-8-14(18)16-13-7-6-12(15)10-11(13)3;/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18);1H
InChIKeyMVAMSGKMEMHZGI-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 131885103
4-(4-chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480
N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976734
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 109023093
N-(4-chlorophenyl)-3-(diethylamino)propanamide
CID 109030730
ethyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate
CID 60660611
N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273330
N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136363
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012162

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride (CID 3066358) is N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride is CCN(CC)CCC(=O)Nc1ccc(Cl)cc1C.Cl.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride?
The InChIKey is MVAMSGKMEMHZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O.ClH/c1-4-17(5-2)9-8-14(18)16-13-7-6-12(15)10-11(13)3;/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18);1H.
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride?
N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride has a molecular weight of 305.25 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride is sourced from PubChem (CID 3066358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).