4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide

C15H21N3O3 — CID 66239629

IUPAC4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)C2COCC2N)c1
InChIInChI=1S/C15H21N3O3/c1-3-14(19)17-10-5-4-9(2)13(6-10)18-15(20)11-7-21-8-12(11)16/h4-6,11-12H,3,7-8,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyIOZCFYCBWCQELE-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.26
Rot. Bonds4

About 4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide

4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide (PubChem CID 66239629) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide
PubChem CID66239629
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)C2COCC2N)c1
InChIInChI=1S/C15H21N3O3/c1-3-14(19)17-10-5-4-9(2)13(6-10)18-15(20)11-7-21-8-12(11)16/h4-6,11-12H,3,7-8,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyIOZCFYCBWCQELE-UHFFFAOYSA-N
XLogP1.26
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide
CID 66238442
4-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]oxolane-3-carboxamide
CID 66240837
4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide
CID 66239031
4-amino-N-(3-methoxy-2,4-dimethylphenyl)oxolane-3-carboxamide
CID 66239016
4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 46467347
4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide
CID 107574306
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
4-amino-N-(4-ethoxyphenyl)oxolane-3-carboxamide
CID 66241179
4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide
CID 114252127
4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide
CID 79241184
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428
4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
CID 66238841

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide (CID 66239629) is 4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide is CCC(=O)Nc1ccc(C)c(NC(=O)C2COCC2N)c1.
What is the InChIKey of 4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide?
The InChIKey is IOZCFYCBWCQELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-14(19)17-10-5-4-9(2)13(6-10)18-15(20)11-7-21-8-12(11)16/h4-6,11-12H,3,7-8,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide?
4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 66239629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).