(3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide

C16H22N2O3 — CID 94810981

IUPAC(3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide
SMILESCC(C)C(=O)Nc1cccc(CNC(=O)[C@@H]2CCOC2)c1
InChIInChI=1S/C16H22N2O3/c1-11(2)15(19)18-14-5-3-4-12(8-14)9-17-16(20)13-6-7-21-10-13/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyCTVDJFXOQYQZMM-CYBMUJFWSA-N
MW290.36 g/mol
LogP1.93
Rot. Bonds5

About (3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide

(3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide (PubChem CID 94810981) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide
PubChem CID94810981
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide
SMILESCC(C)C(=O)Nc1cccc(CNC(=O)[C@@H]2CCOC2)c1
InChIInChI=1S/C16H22N2O3/c1-11(2)15(19)18-14-5-3-4-12(8-14)9-17-16(20)13-6-7-21-10-13/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyCTVDJFXOQYQZMM-CYBMUJFWSA-N
XLogP1.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
(3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 34591979
N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide
CID 114293301
N-[3-(bromomethyl)phenyl]oxolane-3-carboxamide
CID 114307353
N-[3-[(3-chloropropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 43347121
(1R,2S,4S)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98384572
N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 30797255
N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide
CID 74236468
N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
CID 43601115
3-chloro-2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62728650
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide (CID 94810981) is (3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide is CC(C)C(=O)Nc1cccc(CNC(=O)[C@@H]2CCOC2)c1.
What is the InChIKey of (3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide?
The InChIKey is CTVDJFXOQYQZMM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)15(19)18-14-5-3-4-12(8-14)9-17-16(20)13-6-7-21-10-13/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m1/s1.
What are the key properties of (3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide?
(3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 94810981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).