N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide

C16H21NO3 — CID 46449818

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CCCO2)C2CC2)cc1
InChIInChI=1S/C16H21NO3/c1-19-13-8-6-12(7-9-13)15(11-4-5-11)17-16(18)14-3-2-10-20-14/h6-9,11,14-15H,2-5,10H2,1H3,(H,17,18)
InChIKeyGUHMMIKBHKSARH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.44
Rot. Bonds5

About N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide (PubChem CID 46449818) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide
PubChem CID46449818
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CCCO2)C2CC2)cc1
InChIInChI=1S/C16H21NO3/c1-19-13-8-6-12(7-9-13)15(11-4-5-11)17-16(18)14-3-2-10-20-14/h6-9,11,14-15H,2-5,10H2,1H3,(H,17,18)
InChIKeyGUHMMIKBHKSARH-UHFFFAOYSA-N
XLogP2.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
(2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 61253815
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
(2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 39508060
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 119697846
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119697842
1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46571953
9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985157
1-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 61253218
N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide
CID 17173548
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide (CID 46449818) is N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide is COc1ccc(C(NC(=O)C2CCCO2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide?
The InChIKey is GUHMMIKBHKSARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-19-13-8-6-12(7-9-13)15(11-4-5-11)17-16(18)14-3-2-10-20-14/h6-9,11,14-15H,2-5,10H2,1H3,(H,17,18).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 46449818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).