N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide

C29H36N2O4 — CID 60615517

IUPACN-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCC(NC(=O)C1(c2ccccc2)CCOCC1)C1CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C29H36N2O4/c32-26(28(13-17-34-18-14-28)23-7-3-1-4-8-23)30-21-25(22-11-12-22)31-27(33)29(15-19-35-20-16-29)24-9-5-2-6-10-24/h1-10,22,25H,11-21H2,(H,30,32)(H,31,33)
InChIKeyBBGZCLWKFGMJMY-UHFFFAOYSA-N
MW476.62 g/mol
LogP3.49
Rot. Bonds8

About N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide

N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide (PubChem CID 60615517) has the molecular formula C29H36N2O4 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide
PubChem CID60615517
Molecular FormulaC29H36N2O4
Molecular Weight476.62 g/mol
Exact Mass476.27
IUPAC NameN-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCC(NC(=O)C1(c2ccccc2)CCOCC1)C1CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C29H36N2O4/c32-26(28(13-17-34-18-14-28)23-7-3-1-4-8-23)30-21-25(22-11-12-22)31-27(33)29(15-19-35-20-16-29)24-9-5-2-6-10-24/h1-10,22,25H,11-21H2,(H,30,32)(H,31,33)
InChIKeyBBGZCLWKFGMJMY-UHFFFAOYSA-N
XLogP3.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride
CID 119591634
N-[2-(methylamino)propyl]-4-phenyloxane-4-carboxamide;hydrochloride
CID 120832802
N-(2-amino-1-cyclopropylethyl)-1-phenylcyclopentane-1-carboxamide
CID 119616687
N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide
CID 94823320
N-benzhydryl-4-phenyloxane-4-carboxamide
CID 27456066
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 95578914
1-[[(4-phenyloxane-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544882
N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide
CID 119615938
N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide
CID 90583951
N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide
CID 96568311
N-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119589993

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide (CID 60615517) is N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide is O=C(NCC(NC(=O)C1(c2ccccc2)CCOCC1)C1CC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide?
The InChIKey is BBGZCLWKFGMJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O4/c32-26(28(13-17-34-18-14-28)23-7-3-1-4-8-23)30-21-25(22-11-12-22)31-27(33)29(15-19-35-20-16-29)24-9-5-2-6-10-24/h1-10,22,25H,11-21H2,(H,30,32)(H,31,33).
What are the key properties of N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide?
N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide has a molecular weight of 476.62 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 60615517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).