N,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide

C17H26N2O2 — CID 82734789

IUPACN,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)N(C)C2CCOC2C)cc1C
InChIInChI=1S/C17H26N2O2/c1-5-9-18-15-7-6-14(11-12(15)2)17(20)19(4)16-8-10-21-13(16)3/h6-7,11,13,16,18H,5,8-10H2,1-4H3
InChIKeyYPZNOUXBEOSFDB-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.07
Rot. Bonds5

About N,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide

N,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide (PubChem CID 82734789) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide
PubChem CID82734789
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)N(C)C2CCOC2C)cc1C
InChIInChI=1S/C17H26N2O2/c1-5-9-18-15-7-6-14(11-12(15)2)17(20)19(4)16-8-10-21-13(16)3/h6-7,11,13,16,18H,5,8-10H2,1-4H3
InChIKeyYPZNOUXBEOSFDB-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide
CID 63210524
N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide
CID 63963788
3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 114025919
4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide
CID 113399934
3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide
CID 63211762
2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 82743180
3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82741453
[3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 63213608
[3-methyl-4-(propylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370516
N,3-dimethyl-4-(propylamino)-N-pyridin-2-ylbenzamide
CID 63210004
3-methyl-4-[methyl-(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82736669
N-cyclopropyl-4-(ethylamino)-3-methyl-N-propylbenzamide
CID 63210133

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide?
The IUPAC name of N,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide (CID 82734789) is N,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide.
What is the SMILES notation for N,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide?
The canonical SMILES for N,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)N(C)C2CCOC2C)cc1C.
What is the InChIKey of N,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide?
The InChIKey is YPZNOUXBEOSFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-9-18-15-7-6-14(11-12(15)2)17(20)19(4)16-8-10-21-13(16)3/h6-7,11,13,16,18H,5,8-10H2,1-4H3.
What are the key properties of N,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide?
N,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide has a molecular weight of 290.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide is sourced from PubChem (CID 82734789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).