N-(cyclopropylmethyl)-4-[[2-[3-(propan-2-ylcarbamoyl)phenyl]phenyl]methyl]oxane-4-carboxamide

C27H34N2O3 — CID 129456909

IUPACN-(cyclopropylmethyl)-4-[[2-[3-(propan-2-ylcarbamoyl)phenyl]phenyl]methyl]oxane-4-carboxamide
SMILESCC(C)NC(=O)c1cccc(-c2ccccc2CC2(C(=O)NCC3CC3)CCOCC2)c1
InChIInChI=1S/C27H34N2O3/c1-19(2)29-25(30)22-8-5-7-21(16-22)24-9-4-3-6-23(24)17-27(12-14-32-15-13-27)26(31)28-18-20-10-11-20/h3-9,16,19-20H,10-15,17-18H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyNKQFFZOTDZNDMD-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.36
Rot. Bonds8

About N-(cyclopropylmethyl)-4-[[2-[3-(propan-2-ylcarbamoyl)phenyl]phenyl]methyl]oxane-4-carboxamide

N-(cyclopropylmethyl)-4-[[2-[3-(propan-2-ylcarbamoyl)phenyl]phenyl]methyl]oxane-4-carboxamide (PubChem CID 129456909) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[[2-[3-(propan-2-ylcarbamoyl)phenyl]phenyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[[2-[3-(propan-2-ylcarbamoyl)phenyl]phenyl]methyl]oxane-4-carboxamide
PubChem CID129456909
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC NameN-(cyclopropylmethyl)-4-[[2-[3-(propan-2-ylcarbamoyl)phenyl]phenyl]methyl]oxane-4-carboxamide
SMILESCC(C)NC(=O)c1cccc(-c2ccccc2CC2(C(=O)NCC3CC3)CCOCC2)c1
InChIInChI=1S/C27H34N2O3/c1-19(2)29-25(30)22-8-5-7-21(16-22)24-9-4-3-6-23(24)17-27(12-14-32-15-13-27)26(31)28-18-20-10-11-20/h3-9,16,19-20H,10-15,17-18H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyNKQFFZOTDZNDMD-UHFFFAOYSA-N
XLogP4.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 129456473
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CID 110222681
N-(oxan-4-ylmethyl)-3-phenylbenzamide
CID 110736393
N-butan-2-yl-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110082331
N-(2-methoxyethyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 95805201
1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155982803
4-[[2-(1-benzofuran-3-yl)phenyl]methyl]-N-(oxan-3-ylmethyl)oxane-4-carboxamide
CID 110223887
4-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]oxane-4-carboxamide
CID 124964866
4-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide
CID 110088909
3-[[2-(3-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 110244137
4-[[2-(2,4-dimethylphenyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)oxane-4-carboxamide
CID 110222678
N-[3-(dimethylamino)propyl]-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[[2-[3-(propan-2-ylcarbamoyl)phenyl]phenyl]methyl]oxane-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[[2-[3-(propan-2-ylcarbamoyl)phenyl]phenyl]methyl]oxane-4-carboxamide (CID 129456909) is N-(cyclopropylmethyl)-4-[[2-[3-(propan-2-ylcarbamoyl)phenyl]phenyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[[2-[3-(propan-2-ylcarbamoyl)phenyl]phenyl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[[2-[3-(propan-2-ylcarbamoyl)phenyl]phenyl]methyl]oxane-4-carboxamide is CC(C)NC(=O)c1cccc(-c2ccccc2CC2(C(=O)NCC3CC3)CCOCC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[[2-[3-(propan-2-ylcarbamoyl)phenyl]phenyl]methyl]oxane-4-carboxamide?
The InChIKey is NKQFFZOTDZNDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3/c1-19(2)29-25(30)22-8-5-7-21(16-22)24-9-4-3-6-23(24)17-27(12-14-32-15-13-27)26(31)28-18-20-10-11-20/h3-9,16,19-20H,10-15,17-18H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of N-(cyclopropylmethyl)-4-[[2-[3-(propan-2-ylcarbamoyl)phenyl]phenyl]methyl]oxane-4-carboxamide?
N-(cyclopropylmethyl)-4-[[2-[3-(propan-2-ylcarbamoyl)phenyl]phenyl]methyl]oxane-4-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[[2-[3-(propan-2-ylcarbamoyl)phenyl]phenyl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 129456909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).