N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-3-(2-methoxyphenyl)propanamide

C25H31NO3 — CID 26352511

IUPACN-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)N(Cc1ccc(OCC2CCC2)cc1)C1CC1
InChIInChI=1S/C25H31NO3/c1-28-24-8-3-2-7-21(24)11-16-25(27)26(22-12-13-22)17-19-9-14-23(15-10-19)29-18-20-5-4-6-20/h2-3,7-10,14-15,20,22H,4-6,11-13,16-18H2,1H3
InChIKeyZCYWTQFKFZTOIU-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.00
Rot. Bonds10

About N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-3-(2-methoxyphenyl)propanamide

N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-3-(2-methoxyphenyl)propanamide (PubChem CID 26352511) has the molecular formula C25H31NO3 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-3-(2-methoxyphenyl)propanamide
PubChem CID26352511
Molecular FormulaC25H31NO3
Molecular Weight393.53 g/mol
Exact Mass393.23
IUPAC NameN-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)N(Cc1ccc(OCC2CCC2)cc1)C1CC1
InChIInChI=1S/C25H31NO3/c1-28-24-8-3-2-7-21(24)11-16-25(27)26(22-12-13-22)17-19-9-14-23(15-10-19)29-18-20-5-4-6-20/h2-3,7-10,14-15,20,22H,4-6,11-13,16-18H2,1H3
InChIKeyZCYWTQFKFZTOIU-UHFFFAOYSA-N
XLogP5.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)propanamide
CID 43577081
N-cyclopropyl-3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 26378402
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
2-(2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 78811041
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 86999965
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 46545952
3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide
CID 120608816
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119286973
3-(2-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791757
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 24611213
2-(4-benzoylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 9202236

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-3-(2-methoxyphenyl)propanamide (CID 26352511) is N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)N(Cc1ccc(OCC2CCC2)cc1)C1CC1.
What is the InChIKey of N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-3-(2-methoxyphenyl)propanamide?
The InChIKey is ZCYWTQFKFZTOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO3/c1-28-24-8-3-2-7-21(24)11-16-25(27)26(22-12-13-22)17-19-9-14-23(15-10-19)29-18-20-5-4-6-20/h2-3,7-10,14-15,20,22H,4-6,11-13,16-18H2,1H3.
What are the key properties of N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-3-(2-methoxyphenyl)propanamide?
N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-3-(2-methoxyphenyl)propanamide has a molecular weight of 393.53 g/mol, XLogP of 5.00, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 26352511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).