N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide

C30H44N2O4 — CID 43911135

IUPACN,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
SMILESCC(C)Oc1ccc(CNC(=O)CCCCCCCCC(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C30H44N2O4/c1-23(2)35-27-17-13-25(14-18-27)21-31-29(33)11-9-7-5-6-8-10-12-30(34)32-22-26-15-19-28(20-16-26)36-24(3)4/h13-20,23-24H,5-12,21-22H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyLHDGJPXZALPULW-UHFFFAOYSA-N
MW496.69 g/mol
LogP6.31
Rot. Bonds17

About N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide

N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide (PubChem CID 43911135) has the molecular formula C30H44N2O4 and a molecular weight of 496.69 g/mol. Its IUPAC name is N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide.

Molecular Properties

Compound NameN,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
PubChem CID43911135
Molecular FormulaC30H44N2O4
Molecular Weight496.69 g/mol
Exact Mass496.33
IUPAC NameN,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
SMILESCC(C)Oc1ccc(CNC(=O)CCCCCCCCC(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C30H44N2O4/c1-23(2)35-27-17-13-25(14-18-27)21-31-29(33)11-9-7-5-6-8-10-12-30(34)32-22-26-15-19-28(20-16-26)36-24(3)4/h13-20,23-24H,5-12,21-22H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyLHDGJPXZALPULW-UHFFFAOYSA-N
XLogP6.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.69
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide
CID 54792167
N-[(4-propan-2-yloxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167853
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
3-(3,4-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 100595712
2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54815317
7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride
CID 119689633
3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 30380045
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54838126
4-(4-chloro-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 53285359

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide?
The IUPAC name of N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide (CID 43911135) is N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide.
What is the SMILES notation for N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide?
The canonical SMILES for N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide is CC(C)Oc1ccc(CNC(=O)CCCCCCCCC(=O)NCc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide?
The InChIKey is LHDGJPXZALPULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O4/c1-23(2)35-27-17-13-25(14-18-27)21-31-29(33)11-9-7-5-6-8-10-12-30(34)32-22-26-15-19-28(20-16-26)36-24(3)4/h13-20,23-24H,5-12,21-22H2,1-4H3,(H,31,33)(H,32,34).
What are the key properties of N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide?
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide has a molecular weight of 496.69 g/mol, XLogP of 6.31, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide is sourced from PubChem (CID 43911135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).