3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide

C16H23N3O2 — CID 64894153

IUPAC3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2ccc(CN3CCCC3)cc2)CCOC1
InChIInChI=1S/C16H23N3O2/c17-16(7-10-21-12-16)15(20)18-14-5-3-13(4-6-14)11-19-8-1-2-9-19/h3-6H,1-2,7-12,17H2,(H,18,20)
InChIKeyZIFODVGIJKLFHJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.34
Rot. Bonds4

About 3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide

3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide (PubChem CID 64894153) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide
PubChem CID64894153
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2ccc(CN3CCCC3)cc2)CCOC1
InChIInChI=1S/C16H23N3O2/c17-16(7-10-21-12-16)15(20)18-14-5-3-13(4-6-14)11-19-8-1-2-9-19/h3-6H,1-2,7-12,17H2,(H,18,20)
InChIKeyZIFODVGIJKLFHJ-UHFFFAOYSA-N
XLogP1.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
CID 64891880
3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 64892532
1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119901588
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 64893330
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891525
4-[(3-aminooxolane-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103869180
4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid
CID 64892164
(3aR,6aS)-6a-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxamide
CID 167835535
3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
3-amino-N-(3,4-diethoxyphenyl)oxolane-3-carboxamide
CID 64892076
3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
CID 64892988

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide (CID 64894153) is 3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide is NC1(C(=O)Nc2ccc(CN3CCCC3)cc2)CCOC1.
What is the InChIKey of 3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide?
The InChIKey is ZIFODVGIJKLFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-16(7-10-21-12-16)15(20)18-14-5-3-13(4-6-14)11-19-8-1-2-9-19/h3-6H,1-2,7-12,17H2,(H,18,20).
What are the key properties of 3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide?
3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 64894153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).