N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide

C14H19N3O3 — CID 82034969

IUPACN-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCO2)cc1NC(=O)CN
InChIInChI=1S/C14H19N3O3/c1-9-4-5-10(7-11(9)17-13(18)8-15)16-14(19)12-3-2-6-20-12/h4-5,7,12H,2-3,6,8,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyZKDSUIHHRNJCRY-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.01
Rot. Bonds4

About N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide

N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide (PubChem CID 82034969) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide
PubChem CID82034969
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCO2)cc1NC(=O)CN
InChIInChI=1S/C14H19N3O3/c1-9-4-5-10(7-11(9)17-13(18)8-15)16-14(19)12-3-2-6-20-12/h4-5,7,12H,2-3,6,8,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyZKDSUIHHRNJCRY-UHFFFAOYSA-N
XLogP1.01
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide
CID 82034974
N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide
CID 82034964
N-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide
CID 82034531
2-methyl-5-(oxolane-2-carbonylamino)benzoic acid
CID 63652254
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
N-[4-(3,4-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986357
2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855634
N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide
CID 155941835
N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide
CID 43133994
N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide
CID 62213044
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide
CID 60802805

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide (CID 82034969) is N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide is Cc1ccc(NC(=O)C2CCCO2)cc1NC(=O)CN.
What is the InChIKey of N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide?
The InChIKey is ZKDSUIHHRNJCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-4-5-10(7-11(9)17-13(18)8-15)16-14(19)12-3-2-6-20-12/h4-5,7,12H,2-3,6,8,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide?
N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide is sourced from PubChem (CID 82034969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).