N-[2-(dibutylamino)ethyl]-N-[(3-methyl-4-phenylmethoxyphenyl)methyl]-4-propylbenzamide

C35H48N2O2 — CID 142139821

IUPACN-[2-(dibutylamino)ethyl]-N-[(3-methyl-4-phenylmethoxyphenyl)methyl]-4-propylbenzamide
SMILESCCCCN(CCCC)CCN(Cc1ccc(OCc2ccccc2)c(C)c1)C(=O)c1ccc(CCC)cc1
InChIInChI=1S/C35H48N2O2/c1-5-8-22-36(23-9-6-2)24-25-37(35(38)33-19-16-30(13-7-3)17-20-33)27-32-18-21-34(29(4)26-32)39-28-31-14-11-10-12-15-31/h10-12,14-21,26H,5-9,13,22-25,27-28H2,1-4H3
InChIKeyMUWGUDIRQINOMY-UHFFFAOYSA-N
MW528.78 g/mol
LogP8.07
Rot. Bonds17

About N-[2-(dibutylamino)ethyl]-N-[(3-methyl-4-phenylmethoxyphenyl)methyl]-4-propylbenzamide

N-[2-(dibutylamino)ethyl]-N-[(3-methyl-4-phenylmethoxyphenyl)methyl]-4-propylbenzamide (PubChem CID 142139821) has the molecular formula C35H48N2O2 and a molecular weight of 528.78 g/mol. Its IUPAC name is N-[2-(dibutylamino)ethyl]-N-[(3-methyl-4-phenylmethoxyphenyl)methyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[2-(dibutylamino)ethyl]-N-[(3-methyl-4-phenylmethoxyphenyl)methyl]-4-propylbenzamide
PubChem CID142139821
Molecular FormulaC35H48N2O2
Molecular Weight528.78 g/mol
Exact Mass528.37
IUPAC NameN-[2-(dibutylamino)ethyl]-N-[(3-methyl-4-phenylmethoxyphenyl)methyl]-4-propylbenzamide
SMILESCCCCN(CCCC)CCN(Cc1ccc(OCc2ccccc2)c(C)c1)C(=O)c1ccc(CCC)cc1
InChIInChI=1S/C35H48N2O2/c1-5-8-22-36(23-9-6-2)24-25-37(35(38)33-19-16-30(13-7-3)17-20-33)27-32-18-21-34(29(4)26-32)39-28-31-14-11-10-12-15-31/h10-12,14-21,26H,5-9,13,22-25,27-28H2,1-4H3
InChIKeyMUWGUDIRQINOMY-UHFFFAOYSA-N
XLogP8.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.78
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-[2-(dibutylamino)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide;N',N'-dibutyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethane-1,2-diamine
CID 158123048
4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 42701759
N-(3-aminopropyl)-3-(3-methyl-4-phenylmethoxyphenyl)-N-pentylpropanamide
CID 121399532
2-[4-[4-[[2-(dibutylamino)ethyl-(4-pentylbenzoyl)amino]methyl]phenyl]phenyl]acetic acid
CID 11387548
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
1,3-dibutyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42705085
1-[5-[2-[butyl-[2-(4-methylphenyl)ethyl]amino]ethyl]-2-phenylmethoxyphenyl]-3-methylurea
CID 54410248
3-methyl-4-phenylmethoxybenzoyl chloride
CID 18995347
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 42701819
2-(3-methyl-4-phenylmethoxyphenyl)acetamide
CID 67539296
3-methyl-4-(3-phenylpropoxy)benzoic acid
CID 62703449
benzyl 3-methyl-4-phenylmethoxybenzoate
CID 123221197

Frequently Asked Questions

What is the IUPAC name of N-[2-(dibutylamino)ethyl]-N-[(3-methyl-4-phenylmethoxyphenyl)methyl]-4-propylbenzamide?
The IUPAC name of N-[2-(dibutylamino)ethyl]-N-[(3-methyl-4-phenylmethoxyphenyl)methyl]-4-propylbenzamide (CID 142139821) is N-[2-(dibutylamino)ethyl]-N-[(3-methyl-4-phenylmethoxyphenyl)methyl]-4-propylbenzamide.
What is the SMILES notation for N-[2-(dibutylamino)ethyl]-N-[(3-methyl-4-phenylmethoxyphenyl)methyl]-4-propylbenzamide?
The canonical SMILES for N-[2-(dibutylamino)ethyl]-N-[(3-methyl-4-phenylmethoxyphenyl)methyl]-4-propylbenzamide is CCCCN(CCCC)CCN(Cc1ccc(OCc2ccccc2)c(C)c1)C(=O)c1ccc(CCC)cc1.
What is the InChIKey of N-[2-(dibutylamino)ethyl]-N-[(3-methyl-4-phenylmethoxyphenyl)methyl]-4-propylbenzamide?
The InChIKey is MUWGUDIRQINOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48N2O2/c1-5-8-22-36(23-9-6-2)24-25-37(35(38)33-19-16-30(13-7-3)17-20-33)27-32-18-21-34(29(4)26-32)39-28-31-14-11-10-12-15-31/h10-12,14-21,26H,5-9,13,22-25,27-28H2,1-4H3.
What are the key properties of N-[2-(dibutylamino)ethyl]-N-[(3-methyl-4-phenylmethoxyphenyl)methyl]-4-propylbenzamide?
N-[2-(dibutylamino)ethyl]-N-[(3-methyl-4-phenylmethoxyphenyl)methyl]-4-propylbenzamide has a molecular weight of 528.78 g/mol, XLogP of 8.07, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dibutylamino)ethyl]-N-[(3-methyl-4-phenylmethoxyphenyl)methyl]-4-propylbenzamide is sourced from PubChem (CID 142139821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).