N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide

C24H39NO3 — CID 7664418

IUPACN-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)N(CC[C@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1
InChIInChI=1S/C24H39NO3/c1-7-23(26)25(17-19-8-10-21(27-6)11-9-19)14-12-22(18(2)3)20-13-15-28-24(4,5)16-20/h8-11,18,20,22H,7,12-17H2,1-6H3/t20-,22-/m1/s1
InChIKeyFBOFGBZVVPVETP-IFMALSPDSA-N
MW389.58 g/mol
LogP5.30
Rot. Bonds9

About N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide

N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 7664418) has the molecular formula C24H39NO3 and a molecular weight of 389.58 g/mol. Its IUPAC name is N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID7664418
Molecular FormulaC24H39NO3
Molecular Weight389.58 g/mol
Exact Mass389.29
IUPAC NameN-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)N(CC[C@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1
InChIInChI=1S/C24H39NO3/c1-7-23(26)25(17-19-8-10-21(27-6)11-9-19)14-12-22(18(2)3)20-13-15-28-24(4,5)16-20/h8-11,18,20,22H,7,12-17H2,1-6H3/t20-,22-/m1/s1
InChIKeyFBOFGBZVVPVETP-IFMALSPDSA-N
XLogP5.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,2-dimethyloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 2877768
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
(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 7076934
[(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-[(4-propan-2-yloxyphenyl)methyl]azanium
CID 2028697
N-benzyl-N-[(3S)-3-[(2R,4R)-2-ethyl-2-methyloxan-4-yl]-3-(4-methoxyphenyl)propyl]acetamide
CID 98367717
N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]acetamide
CID 2877801
(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pentan-1-amine
CID 2028700
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]acetamide
CID 1119831
[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium
CID 7076927
N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N-[(1R)-1-phenylethyl]propanamide
CID 98231278
N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 25426230

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide (CID 7664418) is N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide is CCC(=O)N(CC[C@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1.
What is the InChIKey of N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is FBOFGBZVVPVETP-IFMALSPDSA-N. The full InChI is InChI=1S/C24H39NO3/c1-7-23(26)25(17-19-8-10-21(27-6)11-9-19)14-12-22(18(2)3)20-13-15-28-24(4,5)16-20/h8-11,18,20,22H,7,12-17H2,1-6H3/t20-,22-/m1/s1.
What are the key properties of N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide?
N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 389.58 g/mol, XLogP of 5.30, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 7664418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).