N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide

C14H19N3O3 — CID 119711447

IUPACN-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
SMILESCNCC(=O)Nc1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C14H19N3O3/c1-15-9-13(18)16-10-4-6-11(7-5-10)17-14(19)12-3-2-8-20-12/h4-7,12,15H,2-3,8-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyLJMWXFJRKSJRHN-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.96
Rot. Bonds5

About N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide

N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide (PubChem CID 119711447) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
PubChem CID119711447
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
SMILESCNCC(=O)Nc1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C14H19N3O3/c1-15-9-13(18)16-10-4-6-11(7-5-10)17-14(19)12-3-2-8-20-12/h4-7,12,15H,2-3,8-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyLJMWXFJRKSJRHN-UHFFFAOYSA-N
XLogP0.96
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112996161
N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 47309395
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
CID 131950649
N-phenyloxolane-2-carboxamide
CID 3453643
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide
CID 110778617
N-[4-(3,4-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986357
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide (CID 119711447) is N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide is CNCC(=O)Nc1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide?
The InChIKey is LJMWXFJRKSJRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-15-9-13(18)16-10-4-6-11(7-5-10)17-14(19)12-3-2-8-20-12/h4-7,12,15H,2-3,8-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide?
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 119711447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).