N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide

C14H22N2O2 — CID 55061041

IUPACN-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)N(C)CC(C)O
InChIInChI=1S/C14H22N2O2/c1-4-9-15-13-8-6-5-7-12(13)14(18)16(3)10-11(2)17/h5-8,11,15,17H,4,9-10H2,1-3H3
InChIKeyVHZZAEFLXLHDPB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.96
Rot. Bonds6

About N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide

N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide (PubChem CID 55061041) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide
PubChem CID55061041
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)N(C)CC(C)O
InChIInChI=1S/C14H22N2O2/c1-4-9-15-13-8-6-5-7-12(13)14(18)16(3)10-11(2)17/h5-8,11,15,17H,4,9-10H2,1-3H3
InChIKeyVHZZAEFLXLHDPB-UHFFFAOYSA-N
XLogP1.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62166178
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(propylamino)benzamide
CID 63107687
N-(2-methylpropyl)-N-propan-2-yl-2-(propylamino)benzamide
CID 62176891
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide
CID 62177403
N,N-diethyl-2-(propylamino)benzamide
CID 62171276
N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)benzamide
CID 62180129
2-(ethylamino)-N-methyl-N-(3-methylbutyl)benzamide
CID 62177256
N-cyclopropyl-N-methyl-2-(propylamino)benzamide
CID 62169629
N,5-dimethyl-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55083322
N-pentyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62174124
N-(2-hydroxypropyl)-N-methyl-4-(propylamino)benzamide
CID 62335915
N-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide
CID 107028256

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide (CID 55061041) is N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)N(C)CC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide?
The InChIKey is VHZZAEFLXLHDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-9-15-13-8-6-5-7-12(13)14(18)16(3)10-11(2)17/h5-8,11,15,17H,4,9-10H2,1-3H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide?
N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide has a molecular weight of 250.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide is sourced from PubChem (CID 55061041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).