5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride

C20H27ClN2O2 — CID 120638250

IUPAC5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride
SMILESCOc1ccccc1C(CC(C)C)NC(=O)c1cc(N)ccc1C.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-13(2)11-18(16-7-5-6-8-19(16)24-4)22-20(23)17-12-15(21)10-9-14(17)3;/h5-10,12-13,18H,11,21H2,1-4H3,(H,22,23);1H
InChIKeyVEMUJKIXOVUDPB-UHFFFAOYSA-N
MW362.90 g/mol
LogP4.52
Rot. Bonds6

About 5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride

5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride (PubChem CID 120638250) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride
PubChem CID120638250
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride
SMILESCOc1ccccc1C(CC(C)C)NC(=O)c1cc(N)ccc1C.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-13(2)11-18(16-7-5-6-8-19(16)24-4)22-20(23)17-12-15(21)10-9-14(17)3;/h5-10,12-13,18H,11,21H2,1-4H3,(H,22,23);1H
InChIKeyVEMUJKIXOVUDPB-UHFFFAOYSA-N
XLogP4.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide
CID 100715050
(2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide
CID 119342540
3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide
CID 120502168
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869
2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100710084
5-amino-N-[1-(2-bromophenyl)ethyl]-2-methylbenzamide
CID 61291745
5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride
CID 120624405
5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide
CID 120636797
methyl 2-(2-methoxyphenyl)-4-methylpentanoate
CID 112508329
3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride
CID 119689331
5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide
CID 120636277
4-[[2-fluoro-1-(2-methoxyphenyl)ethyl]carbamoyl]-5-methylthiophene-2-carboxylic acid
CID 167925457

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride (CID 120638250) is 5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride is COc1ccccc1C(CC(C)C)NC(=O)c1cc(N)ccc1C.Cl.
What is the InChIKey of 5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride?
The InChIKey is VEMUJKIXOVUDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-13(2)11-18(16-7-5-6-8-19(16)24-4)22-20(23)17-12-15(21)10-9-14(17)3;/h5-10,12-13,18H,11,21H2,1-4H3,(H,22,23);1H.
What are the key properties of 5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride?
5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120638250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).