N-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide

C15H22N2O3 — CID 61271974

IUPACN-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide
SMILESCOc1cccc(N(CCCN)C(=O)C2CCOC2)c1
InChIInChI=1S/C15H22N2O3/c1-19-14-5-2-4-13(10-14)17(8-3-7-16)15(18)12-6-9-20-11-12/h2,4-5,10,12H,3,6-9,11,16H2,1H3
InChIKeyDVXNDTNEZZUOIQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.41
Rot. Bonds6

About N-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide

N-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide (PubChem CID 61271974) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide
PubChem CID61271974
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide
SMILESCOc1cccc(N(CCCN)C(=O)C2CCOC2)c1
InChIInChI=1S/C15H22N2O3/c1-19-14-5-2-4-13(10-14)17(8-3-7-16)15(18)12-6-9-20-11-12/h2,4-5,10,12H,3,6-9,11,16H2,1H3
InChIKeyDVXNDTNEZZUOIQ-UHFFFAOYSA-N
XLogP1.41
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
CID 43136235
N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide
CID 63011480
N-(3-aminopropyl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 28767782
N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide
CID 63011144
N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
CID 28766909
N-(3-aminopropyl)-5-methyl-N-(3-methylphenyl)oxolane-3-carboxamide
CID 114824116
N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 43319153
1-(2-hydroxyethyl)-1-(3-methoxyphenyl)urea
CID 91413546
N-(5-aminopentyl)-N-methyloxolane-3-carboxamide
CID 107206578
2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone
CID 43136387
N-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide
CID 105360435
(3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide
CID 129433195

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide (CID 61271974) is N-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide is COc1cccc(N(CCCN)C(=O)C2CCOC2)c1.
What is the InChIKey of N-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide?
The InChIKey is DVXNDTNEZZUOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-14-5-2-4-13(10-14)17(8-3-7-16)15(18)12-6-9-20-11-12/h2,4-5,10,12H,3,6-9,11,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide?
N-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 61271974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).