3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-3-carboxamide

C16H22N2O3 — CID 64891982

IUPAC3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-3-carboxamide
SMILESCOc1ccc(C(NC(=O)C2(N)CCOC2)C2CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-20-13-6-4-12(5-7-13)14(11-2-3-11)18-15(19)16(17)8-9-21-10-16/h4-7,11,14H,2-3,8-10,17H2,1H3,(H,18,19)
InChIKeyWIOKVSDMQRCQOP-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.38
Rot. Bonds5

About 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-3-carboxamide

3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-3-carboxamide (PubChem CID 64891982) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-3-carboxamide
PubChem CID64891982
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-3-carboxamide
SMILESCOc1ccc(C(NC(=O)C2(N)CCOC2)C2CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-20-13-6-4-12(5-7-13)14(11-2-3-11)18-15(19)16(17)8-9-21-10-16/h4-7,11,14H,2-3,8-10,17H2,1H3,(H,18,19)
InChIKeyWIOKVSDMQRCQOP-UHFFFAOYSA-N
XLogP1.38
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-3-carboxamide (CID 64891982) is 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-3-carboxamide is COc1ccc(C(NC(=O)C2(N)CCOC2)C2CC2)cc1.
What is the InChIKey of 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-3-carboxamide?
The InChIKey is WIOKVSDMQRCQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-13-6-4-12(5-7-13)14(11-2-3-11)18-15(19)16(17)8-9-21-10-16/h4-7,11,14H,2-3,8-10,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-3-carboxamide?
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 64891982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).