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

C19H21N3O3 — CID 119282778

IUPACN-[4-[(2-amino-2-phenylacetyl)amino]phenyl]oxolane-2-carboxamide
SMILESNC(C(=O)Nc1ccc(NC(=O)C2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c20-17(13-5-2-1-3-6-13)19(24)22-15-10-8-14(9-11-15)21-18(23)16-7-4-12-25-16/h1-3,5-6,8-11,16-17H,4,7,12,20H2,(H,21,23)(H,22,24)
InChIKeyGZWHMQMYYCIKBO-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.44
Rot. Bonds5

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

N-[4-[(2-amino-2-phenylacetyl)amino]phenyl]oxolane-2-carboxamide (PubChem CID 119282778) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[4-[(2-amino-2-phenylacetyl)amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-amino-2-phenylacetyl)amino]phenyl]oxolane-2-carboxamide
PubChem CID119282778
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[4-[(2-amino-2-phenylacetyl)amino]phenyl]oxolane-2-carboxamide
SMILESNC(C(=O)Nc1ccc(NC(=O)C2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c20-17(13-5-2-1-3-6-13)19(24)22-15-10-8-14(9-11-15)21-18(23)16-7-4-12-25-16/h1-3,5-6,8-11,16-17H,4,7,12,20H2,(H,21,23)(H,22,24)
InChIKeyGZWHMQMYYCIKBO-UHFFFAOYSA-N
XLogP2.44
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyloxolane-2-carboxamide
CID 3453643
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 104855967
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
4-[[(2S)-2-amino-2-phenylacetyl]amino]benzamide
CID 22691729
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
(2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide
CID 95785400
(2R)-N-(4-acetylphenyl)-2-amino-2-phenylacetamide
CID 61259858
(2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396701
N-[4-(benzoylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 2970623

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-2-phenylacetyl)amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[(2-amino-2-phenylacetyl)amino]phenyl]oxolane-2-carboxamide (CID 119282778) is N-[4-[(2-amino-2-phenylacetyl)amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[(2-amino-2-phenylacetyl)amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[(2-amino-2-phenylacetyl)amino]phenyl]oxolane-2-carboxamide is NC(C(=O)Nc1ccc(NC(=O)C2CCCO2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(2-amino-2-phenylacetyl)amino]phenyl]oxolane-2-carboxamide?
The InChIKey is GZWHMQMYYCIKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c20-17(13-5-2-1-3-6-13)19(24)22-15-10-8-14(9-11-15)21-18(23)16-7-4-12-25-16/h1-3,5-6,8-11,16-17H,4,7,12,20H2,(H,21,23)(H,22,24).
What are the key properties of N-[4-[(2-amino-2-phenylacetyl)amino]phenyl]oxolane-2-carboxamide?
N-[4-[(2-amino-2-phenylacetyl)amino]phenyl]oxolane-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-2-phenylacetyl)amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 119282778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).