N-[(2S)-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propanoyl]-5-(3-phenylpropyl)-1H-imidazole-2-carboxamide

C27H30N4O5 — CID 54524313

IUPACN-[(2S)-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propanoyl]-5-(3-phenylpropyl)-1H-imidazole-2-carboxamide
SMILESC[C@H](NC1CC(=O)OC1OCc1ccccc1)C(=O)NC(=O)c1ncc(CCCc2ccccc2)[nH]1
InChIInChI=1S/C27H30N4O5/c1-18(29-22-15-23(32)36-27(22)35-17-20-11-6-3-7-12-20)25(33)31-26(34)24-28-16-21(30-24)14-8-13-19-9-4-2-5-10-19/h2-7,9-12,16,18,22,27,29H,8,13-15,17H2,1H3,(H,28,30)(H,31,33,34)/t18-,22?,27?/m0/s1
InChIKeyYSARJWNGQCJKGT-VJQPTODFSA-N
MW490.56 g/mol
LogP2.68
Rot. Bonds11

About N-[(2S)-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propanoyl]-5-(3-phenylpropyl)-1H-imidazole-2-carboxamide

N-[(2S)-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propanoyl]-5-(3-phenylpropyl)-1H-imidazole-2-carboxamide (PubChem CID 54524313) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[(2S)-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propanoyl]-5-(3-phenylpropyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propanoyl]-5-(3-phenylpropyl)-1H-imidazole-2-carboxamide
PubChem CID54524313
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC NameN-[(2S)-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propanoyl]-5-(3-phenylpropyl)-1H-imidazole-2-carboxamide
SMILESC[C@H](NC1CC(=O)OC1OCc1ccccc1)C(=O)NC(=O)c1ncc(CCCc2ccccc2)[nH]1
InChIInChI=1S/C27H30N4O5/c1-18(29-22-15-23(32)36-27(22)35-17-20-11-6-3-7-12-20)25(33)31-26(34)24-28-16-21(30-24)14-8-13-19-9-4-2-5-10-19/h2-7,9-12,16,18,22,27,29H,8,13-15,17H2,1H3,(H,28,30)(H,31,33,34)/t18-,22?,27?/m0/s1
InChIKeyYSARJWNGQCJKGT-VJQPTODFSA-N
XLogP2.68
TPSA122.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propanoyl]-5-(3-phenylpropyl)-1H-imidazole-2-carboxamide?
The IUPAC name of N-[(2S)-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propanoyl]-5-(3-phenylpropyl)-1H-imidazole-2-carboxamide (CID 54524313) is N-[(2S)-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propanoyl]-5-(3-phenylpropyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propanoyl]-5-(3-phenylpropyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[(2S)-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propanoyl]-5-(3-phenylpropyl)-1H-imidazole-2-carboxamide is C[C@H](NC1CC(=O)OC1OCc1ccccc1)C(=O)NC(=O)c1ncc(CCCc2ccccc2)[nH]1.
What is the InChIKey of N-[(2S)-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propanoyl]-5-(3-phenylpropyl)-1H-imidazole-2-carboxamide?
The InChIKey is YSARJWNGQCJKGT-VJQPTODFSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-18(29-22-15-23(32)36-27(22)35-17-20-11-6-3-7-12-20)25(33)31-26(34)24-28-16-21(30-24)14-8-13-19-9-4-2-5-10-19/h2-7,9-12,16,18,22,27,29H,8,13-15,17H2,1H3,(H,28,30)(H,31,33,34)/t18-,22?,27?/m0/s1.
What are the key properties of N-[(2S)-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propanoyl]-5-(3-phenylpropyl)-1H-imidazole-2-carboxamide?
N-[(2S)-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propanoyl]-5-(3-phenylpropyl)-1H-imidazole-2-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 2.68, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]propanoyl]-5-(3-phenylpropyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 54524313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).