4-amino-N-[(4-propan-2-ylphenyl)methyl]oxolane-3-carboxamide

C15H22N2O2 — CID 66236279

IUPAC4-amino-N-[(4-propan-2-ylphenyl)methyl]oxolane-3-carboxamide
SMILESCC(C)c1ccc(CNC(=O)C2COCC2N)cc1
InChIInChI=1S/C15H22N2O2/c1-10(2)12-5-3-11(4-6-12)7-17-15(18)13-8-19-9-14(13)16/h3-6,10,13-14H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyLBPLWZXMTLZMAV-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.40
Rot. Bonds4

About 4-amino-N-[(4-propan-2-ylphenyl)methyl]oxolane-3-carboxamide

4-amino-N-[(4-propan-2-ylphenyl)methyl]oxolane-3-carboxamide (PubChem CID 66236279) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-N-[(4-propan-2-ylphenyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-propan-2-ylphenyl)methyl]oxolane-3-carboxamide
PubChem CID66236279
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-N-[(4-propan-2-ylphenyl)methyl]oxolane-3-carboxamide
SMILESCC(C)c1ccc(CNC(=O)C2COCC2N)cc1
InChIInChI=1S/C15H22N2O2/c1-10(2)12-5-3-11(4-6-12)7-17-15(18)13-8-19-9-14(13)16/h3-6,10,13-14H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyLBPLWZXMTLZMAV-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(4-fluorophenyl)methyl]oxolane-3-carboxamide
CID 66239603
methyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate
CID 66237277
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxolane-3-carboxamide
CID 66236465
4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide
CID 66238425
4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672608
3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550612
4-amino-N-[(3-ethoxyphenyl)methyl]oxolane-3-carboxamide
CID 66239651
3-amino-N-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119716369
4-amino-N-(1H-pyrazol-5-ylmethyl)oxolane-3-carboxamide
CID 66236271
4-amino-N-(1-phenylpropan-2-yl)oxolane-3-carboxamide
CID 66235478
(2S,5R)-5-(aminomethyl)-N-[(4-propan-2-ylphenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120786767
4-amino-N-[(3-ethyl-2-pyridinyl)methyl]oxolane-3-carboxamide
CID 82737954

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-propan-2-ylphenyl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[(4-propan-2-ylphenyl)methyl]oxolane-3-carboxamide (CID 66236279) is 4-amino-N-[(4-propan-2-ylphenyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-propan-2-ylphenyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[(4-propan-2-ylphenyl)methyl]oxolane-3-carboxamide is CC(C)c1ccc(CNC(=O)C2COCC2N)cc1.
What is the InChIKey of 4-amino-N-[(4-propan-2-ylphenyl)methyl]oxolane-3-carboxamide?
The InChIKey is LBPLWZXMTLZMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)12-5-3-11(4-6-12)7-17-15(18)13-8-19-9-14(13)16/h3-6,10,13-14H,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[(4-propan-2-ylphenyl)methyl]oxolane-3-carboxamide?
4-amino-N-[(4-propan-2-ylphenyl)methyl]oxolane-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-propan-2-ylphenyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 66236279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).