N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide

C16H24N2O3 — CID 120827818

IUPACN-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
SMILESCNC(C)CNC(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C16H24N2O3/c1-12(17-2)10-18-16(19)13-5-3-6-14(9-13)21-11-15-7-4-8-20-15/h3,5-6,9,12,15,17H,4,7-8,10-11H2,1-2H3,(H,18,19)
InChIKeyHDYSRSRVEGMNDJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.58
Rot. Bonds7

About N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide

N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 120827818) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID120827818
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
SMILESCNC(C)CNC(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C16H24N2O3/c1-12(17-2)10-18-16(19)13-5-3-6-14(9-13)21-11-15-7-4-8-20-15/h3,5-6,9,12,15,17H,4,7-8,10-11H2,1-2H3,(H,18,19)
InChIKeyHDYSRSRVEGMNDJ-UHFFFAOYSA-N
XLogP1.58
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044138
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119225550
propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 24633199
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119640288
N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 134023779
N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 119619503
(2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
CID 119364315
3-(2-methylpropoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17140356

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide (CID 120827818) is N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide is CNC(C)CNC(=O)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is HDYSRSRVEGMNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(17-2)10-18-16(19)13-5-3-6-14(9-13)21-11-15-7-4-8-20-15/h3,5-6,9,12,15,17H,4,7-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide?
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 292.38 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 120827818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).