N-(3-chloro-2-methylphenyl)-3-(2-methylpropylamino)propanamide;hydrochloride

C14H22Cl2N2O — CID 3066103

IUPACN-(3-chloro-2-methylphenyl)-3-(2-methylpropylamino)propanamide;hydrochloride
SMILESCc1c(Cl)cccc1NC(=O)CCNCC(C)C.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-10(2)9-16-8-7-14(18)17-13-6-4-5-12(15)11(13)3;/h4-6,10,16H,7-9H2,1-3H3,(H,17,18);1H
InChIKeyGDLOJDBQXZCOEZ-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.64
Rot. Bonds6

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

N-(3-chloro-2-methylphenyl)-3-(2-methylpropylamino)propanamide;hydrochloride (PubChem CID 3066103) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(2-methylpropylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(2-methylpropylamino)propanamide;hydrochloride
PubChem CID3066103
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(2-methylpropylamino)propanamide;hydrochloride
SMILESCc1c(Cl)cccc1NC(=O)CCNCC(C)C.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-10(2)9-16-8-7-14(18)17-13-6-4-5-12(15)11(13)3;/h4-6,10,16H,7-9H2,1-3H3,(H,17,18);1H
InChIKeyGDLOJDBQXZCOEZ-UHFFFAOYSA-N
XLogP3.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(2-methylpropylamino)propanamide;hydrochloride?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(2-methylpropylamino)propanamide;hydrochloride (CID 3066103) is N-(3-chloro-2-methylphenyl)-3-(2-methylpropylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(2-methylpropylamino)propanamide;hydrochloride?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(2-methylpropylamino)propanamide;hydrochloride is Cc1c(Cl)cccc1NC(=O)CCNCC(C)C.Cl.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(2-methylpropylamino)propanamide;hydrochloride?
The InChIKey is GDLOJDBQXZCOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O.ClH/c1-10(2)9-16-8-7-14(18)17-13-6-4-5-12(15)11(13)3;/h4-6,10,16H,7-9H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(2-methylpropylamino)propanamide;hydrochloride?
N-(3-chloro-2-methylphenyl)-3-(2-methylpropylamino)propanamide;hydrochloride has a molecular weight of 305.25 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(2-methylpropylamino)propanamide;hydrochloride is sourced from PubChem (CID 3066103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).