N-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide

C27H31NO2 — CID 4610480

IUPACN-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide
SMILESCC(=O)N(CCC(c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccccc1
InChIInChI=1S/C27H31NO2/c1-21(2)30-26-16-14-25(15-17-26)27(24-12-8-5-9-13-24)18-19-28(22(3)29)20-23-10-6-4-7-11-23/h4-17,21,27H,18-20H2,1-3H3
InChIKeyUYOWIZWKWSXQHL-UHFFFAOYSA-N
MW401.55 g/mol
LogP6.04
Rot. Bonds9

About N-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide

N-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide (PubChem CID 4610480) has the molecular formula C27H31NO2 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide
PubChem CID4610480
Molecular FormulaC27H31NO2
Molecular Weight401.55 g/mol
Exact Mass401.24
IUPAC NameN-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide
SMILESCC(=O)N(CCC(c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccccc1
InChIInChI=1S/C27H31NO2/c1-21(2)30-26-16-14-25(15-17-26)27(24-12-8-5-9-13-24)18-19-28(22(3)29)20-23-10-6-4-7-11-23/h4-17,21,27H,18-20H2,1-3H3
InChIKeyUYOWIZWKWSXQHL-UHFFFAOYSA-N
XLogP6.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 3708634
N-[(4-methoxyphenyl)methyl]-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide
CID 4256218
N-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide
CID 2956858
N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 2920636
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 1071993
N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 4649390
N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 25426230
N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 3841014
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
2-[acetyl(benzyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113161293
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 40877913
3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 2939109

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide?
The IUPAC name of N-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide (CID 4610480) is N-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide.
What is the SMILES notation for N-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide?
The canonical SMILES for N-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide is CC(=O)N(CCC(c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide?
The InChIKey is UYOWIZWKWSXQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2/c1-21(2)30-26-16-14-25(15-17-26)27(24-12-8-5-9-13-24)18-19-28(22(3)29)20-23-10-6-4-7-11-23/h4-17,21,27H,18-20H2,1-3H3.
What are the key properties of N-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide?
N-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide has a molecular weight of 401.55 g/mol, XLogP of 6.04, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide is sourced from PubChem (CID 4610480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).