N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride

C14H23ClN2O — CID 119717227

IUPACN,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(C)Cc1cccc(C)c1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-11-6-5-7-13(8-11)10-16(4)14(17)12(2)9-15-3;/h5-8,12,15H,9-10H2,1-4H3;1H
InChIKeySSONMHTVUPHRBV-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.23
Rot. Bonds5

About N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride

N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride (PubChem CID 119717227) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride
PubChem CID119717227
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(C)Cc1cccc(C)c1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-11-6-5-7-13(8-11)10-16(4)14(17)12(2)9-15-3;/h5-8,12,15H,9-10H2,1-4H3;1H
InChIKeySSONMHTVUPHRBV-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
CID 79202080
3-methyl-2-[methyl-[(3-methylphenyl)methyl]carbamoyl]butanoic acid
CID 115186248
2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid
CID 62671339
3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 115180689
2-bromo-N-methyl-N-[(3-methylphenyl)methyl]butanamide
CID 62855223
2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide
CID 115186654
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119742246
1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine
CID 79414588
N,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 79201552
N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62853098
3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62230250
3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
CID 61411496

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride (CID 119717227) is N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride is CNCC(C)C(=O)N(C)Cc1cccc(C)c1.Cl.
What is the InChIKey of N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride?
The InChIKey is SSONMHTVUPHRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-11-6-5-7-13(8-11)10-16(4)14(17)12(2)9-15-3;/h5-8,12,15H,9-10H2,1-4H3;1H.
What are the key properties of N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride?
N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119717227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).