N-[(2S)-1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-imidazole-5-carboxamide

C26H24N4O4 — CID 56953916

IUPACN-[(2S)-1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-imidazole-5-carboxamide
SMILESO=C(N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1cnc[nH]1
InChIInChI=1S/C26H24N4O4/c31-25(23-15-27-18-28-23)30-24(17-33-16-19-7-3-1-4-8-19)26(32)29-20-11-13-22(14-12-20)34-21-9-5-2-6-10-21/h1-15,18,24H,16-17H2,(H,27,28)(H,29,32)(H,30,31)/t24-/m0/s1
InChIKeyMZEOZQZZDLOJIP-DEOSSOPVSA-N
MW456.50 g/mol
LogP4.16
Rot. Bonds10

About N-[(2S)-1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-imidazole-5-carboxamide

N-[(2S)-1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-imidazole-5-carboxamide (PubChem CID 56953916) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-imidazole-5-carboxamide
PubChem CID56953916
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC NameN-[(2S)-1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-imidazole-5-carboxamide
SMILESO=C(N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1cnc[nH]1
InChIInChI=1S/C26H24N4O4/c31-25(23-15-27-18-28-23)30-24(17-33-16-19-7-3-1-4-8-19)26(32)29-20-11-13-22(14-12-20)34-21-9-5-2-6-10-21/h1-15,18,24H,16-17H2,(H,27,28)(H,29,32)(H,30,31)/t24-/m0/s1
InChIKeyMZEOZQZZDLOJIP-DEOSSOPVSA-N
XLogP4.16
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-imidazole-5-carboxamide (CID 56953916) is N-[(2S)-1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-imidazole-5-carboxamide is O=C(N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1cnc[nH]1.
What is the InChIKey of N-[(2S)-1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-imidazole-5-carboxamide?
The InChIKey is MZEOZQZZDLOJIP-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H24N4O4/c31-25(23-15-27-18-28-23)30-24(17-33-16-19-7-3-1-4-8-19)26(32)29-20-11-13-22(14-12-20)34-21-9-5-2-6-10-21/h1-15,18,24H,16-17H2,(H,27,28)(H,29,32)(H,30,31)/t24-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-imidazole-5-carboxamide?
N-[(2S)-1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-imidazole-5-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 4.16, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 56953916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).