N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]acetamide

C25H33NO2 — CID 2877801

IUPACN-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]acetamide
SMILESCC(=O)N(CCC(c1ccccc1)C1CCOC(C)(C)C1)Cc1ccccc1
InChIInChI=1S/C25H33NO2/c1-20(27)26(19-21-10-6-4-7-11-21)16-14-24(22-12-8-5-9-13-22)23-15-17-28-25(2,3)18-23/h4-13,23-24H,14-19H2,1-3H3
InChIKeyKLYJIWGORYQXPF-UHFFFAOYSA-N
MW379.54 g/mol
LogP5.41
Rot. Bonds7

About N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]acetamide

N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]acetamide (PubChem CID 2877801) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]acetamide
PubChem CID2877801
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC NameN-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]acetamide
SMILESCC(=O)N(CCC(c1ccccc1)C1CCOC(C)(C)C1)Cc1ccccc1
InChIInChI=1S/C25H33NO2/c1-20(27)26(19-21-10-6-4-7-11-21)16-14-24(22-12-8-5-9-13-22)23-15-17-28-25(2,3)18-23/h4-13,23-24H,14-19H2,1-3H3
InChIKeyKLYJIWGORYQXPF-UHFFFAOYSA-N
XLogP5.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]acetamide
CID 1119831
N-benzyl-N-[(3S)-3-[(2R,4R)-2-ethyl-2-methyloxan-4-yl]-3-(4-methoxyphenyl)propyl]acetamide
CID 98367717
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)propyl]acetamide
CID 1147460
N-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(2-methoxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1119799
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]furan-2-carboxamide
CID 41273641
N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N-[(1R)-1-phenylethyl]propanamide
CID 98231278
3-(2,2-dimethyloxan-4-yl)-3-phenylpropanoic acid
CID 649009
(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 7076934
[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]azanium
CID 6937612
N-[(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N',N'-dimethylethane-1,2-diamine
CID 7640934
(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-N-[(1R)-1-phenylethyl]propan-1-amine
CID 7077870
N-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-phenylmethanimine
CID 7358429

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]acetamide?
The IUPAC name of N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]acetamide (CID 2877801) is N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]acetamide.
What is the SMILES notation for N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]acetamide?
The canonical SMILES for N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]acetamide is CC(=O)N(CCC(c1ccccc1)C1CCOC(C)(C)C1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]acetamide?
The InChIKey is KLYJIWGORYQXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2/c1-20(27)26(19-21-10-6-4-7-11-21)16-14-24(22-12-8-5-9-13-22)23-15-17-28-25(2,3)18-23/h4-13,23-24H,14-19H2,1-3H3.
What are the key properties of N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]acetamide?
N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]acetamide has a molecular weight of 379.54 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]acetamide is sourced from PubChem (CID 2877801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).