N-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide

C27H39NO3 — CID 42705071

IUPACN-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide
SMILESCCCCC(CC)C(=O)N(CCCC)Cc1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C27H39NO3/c1-5-8-15-24(7-3)27(29)28(18-9-6-2)20-23-16-17-25(26(19-23)30-4)31-21-22-13-11-10-12-14-22/h10-14,16-17,19,24H,5-9,15,18,20-21H2,1-4H3
InChIKeyDVCSJJWEJWRGTR-UHFFFAOYSA-N
MW425.61 g/mol
LogP6.62
Rot. Bonds14

About N-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide

N-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide (PubChem CID 42705071) has the molecular formula C27H39NO3 and a molecular weight of 425.61 g/mol. Its IUPAC name is N-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide.

Molecular Properties

Compound NameN-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide
PubChem CID42705071
Molecular FormulaC27H39NO3
Molecular Weight425.61 g/mol
Exact Mass425.29
IUPAC NameN-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide
SMILESCCCCC(CC)C(=O)N(CCCC)Cc1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C27H39NO3/c1-5-8-15-24(7-3)27(29)28(18-9-6-2)20-23-16-17-25(26(19-23)30-4)31-21-22-13-11-10-12-14-22/h10-14,16-17,19,24H,5-9,15,18,20-21H2,1-4H3
InChIKeyDVCSJJWEJWRGTR-UHFFFAOYSA-N
XLogP6.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.61
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dibutyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42705085
2-chloro-N-(3,3-diphenylpropyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide
CID 42704911
1-butyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(4-nitrophenyl)urea
CID 42705090
benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate
CID 71214789
2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide
CID 42701112
N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide
CID 45489032
3-butyl-1-[5-(diethylamino)pentan-2-yl]-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708399
2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid
CID 175151387
(2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide
CID 159805711
[5-[[[(2S)-2-ethylhexanoyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] 3-(trifluoromethyl)benzenesulfonate
CID 98402971
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087
4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide?
The IUPAC name of N-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide (CID 42705071) is N-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide.
What is the SMILES notation for N-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide?
The canonical SMILES for N-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide is CCCCC(CC)C(=O)N(CCCC)Cc1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of N-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide?
The InChIKey is DVCSJJWEJWRGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO3/c1-5-8-15-24(7-3)27(29)28(18-9-6-2)20-23-16-17-25(26(19-23)30-4)31-21-22-13-11-10-12-14-22/h10-14,16-17,19,24H,5-9,15,18,20-21H2,1-4H3.
What are the key properties of N-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide?
N-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide has a molecular weight of 425.61 g/mol, XLogP of 6.62, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide is sourced from PubChem (CID 42705071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).