N-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide

C15H22N2O2 — CID 79750074

IUPACN-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(CCCN)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-12-14(8-11-19-12)15(18)17(10-5-9-16)13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11,16H2,1H3
InChIKeyAEEAVQXNWLDAIE-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.79
Rot. Bonds5

About N-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide

N-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide (PubChem CID 79750074) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide
PubChem CID79750074
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(CCCN)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-12-14(8-11-19-12)15(18)17(10-5-9-16)13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11,16H2,1H3
InChIKeyAEEAVQXNWLDAIE-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide
CID 79750448
N-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide
CID 79750666
N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79750294
N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide
CID 79751202
N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide
CID 107174469
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79750370
2-amino-N-butyl-N-phenylcyclopentane-1-carboxamide
CID 64850280
cis-(1R,2S)-2-[2-(N-[(1S,2S)-2-carboxycyclohexanecarbonyl]anilino)ethyl-phenylcarbamoyl]cyclohexane-1-carboxylic acid
CID 51863308
4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid
CID 79750382
1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea
CID 16783058
N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide
CID 43135948
4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid
CID 104855556

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide (CID 79750074) is N-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide is CC1OCCC1C(=O)N(CCCN)c1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide?
The InChIKey is AEEAVQXNWLDAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-14(8-11-19-12)15(18)17(10-5-9-16)13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide?
N-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide is sourced from PubChem (CID 79750074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).