N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride

C17H20ClNO2 — CID 172776403

IUPACN-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride
SMILESCOCC(C)NC(=O)c1cccc(-c2ccccc2)c1.Cl
InChIInChI=1S/C17H19NO2.ClH/c1-13(12-20-2)18-17(19)16-10-6-9-15(11-16)14-7-4-3-5-8-14;/h3-11,13H,12H2,1-2H3,(H,18,19);1H
InChIKeyNQQQIHDXNFVNEW-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.54
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride

N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride (PubChem CID 172776403) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride
PubChem CID172776403
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC NameN-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride
SMILESCOCC(C)NC(=O)c1cccc(-c2ccccc2)c1.Cl
InChIInChI=1S/C17H19NO2.ClH/c1-13(12-20-2)18-17(19)16-10-6-9-15(11-16)14-7-4-3-5-8-14;/h3-11,13H,12H2,1-2H3,(H,18,19);1H
InChIKeyNQQQIHDXNFVNEW-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide
CID 125168230
3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide
CID 118785915
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
4-benzamido-N-(1-methoxypropan-2-yl)benzamide
CID 17153292
3-(4-methoxybutan-2-ylcarbamoyl)benzoic acid
CID 64603087
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
formic acid;N-(1-methoxypropan-2-yl)-3-(5-propylpyrimidin-2-yl)benzamide
CID 171339155
N-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide
CID 125444057
3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide
CID 124560386
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
CID 47005557
3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide
CID 39782664
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride?
The IUPAC name of N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride (CID 172776403) is N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride is COCC(C)NC(=O)c1cccc(-c2ccccc2)c1.Cl.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride?
The InChIKey is NQQQIHDXNFVNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.ClH/c1-13(12-20-2)18-17(19)16-10-6-9-15(11-16)14-7-4-3-5-8-14;/h3-11,13H,12H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride?
N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride is sourced from PubChem (CID 172776403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).