N-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide

C16H24N2O3 — CID 66256873

IUPACN-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCc1ccccc1OC
InChIInChI=1S/C16H24N2O3/c1-3-8-17-14-11-21-10-13(14)16(19)18-9-12-6-4-5-7-15(12)20-2/h4-7,13-14,17H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyKTLFXRZBELQHOR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.33
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide

N-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66256873) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide
PubChem CID66256873
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCc1ccccc1OC
InChIInChI=1S/C16H24N2O3/c1-3-8-17-14-11-21-10-13(14)16(19)18-9-12-6-4-5-7-15(12)20-2/h4-7,13-14,17H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyKTLFXRZBELQHOR-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116811557
N-(2-phenylsulfanylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255768
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66265055
2-N-(2-methoxyethyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109132921
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
trans-(1R,2R)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6945107
cis-(1S,2R)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6945106
trans-(1S,2S)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 800075
N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81363941
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301
N-(4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255163
4-(ethylamino)-N-[(3-methoxyphenyl)methyl]oxolane-3-carboxamide
CID 66257709

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide (CID 66256873) is N-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NCc1ccccc1OC.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is KTLFXRZBELQHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-8-17-14-11-21-10-13(14)16(19)18-9-12-6-4-5-7-15(12)20-2/h4-7,13-14,17H,3,8-11H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66256873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).