N-(cyclopropylmethyl)-2-(4-fluorophenoxy)-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methylpropanamide

C28H30FNO3 — CID 164531775

IUPACN-(cyclopropylmethyl)-2-(4-fluorophenoxy)-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methylpropanamide
SMILESCOCc1ccc(-c2ccc(N(CC3CC3)C(=O)C(C)(C)Oc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C28H30FNO3/c1-28(2,33-26-16-12-24(29)13-17-26)27(31)30(18-20-4-5-20)25-14-10-23(11-15-25)22-8-6-21(7-9-22)19-32-3/h6-17,20H,4-5,18-19H2,1-3H3
InChIKeyCCKRVJFWXOYOCQ-UHFFFAOYSA-N
MW447.55 g/mol
LogP6.24
Rot. Bonds9

About N-(cyclopropylmethyl)-2-(4-fluorophenoxy)-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methylpropanamide

N-(cyclopropylmethyl)-2-(4-fluorophenoxy)-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methylpropanamide (PubChem CID 164531775) has the molecular formula C28H30FNO3 and a molecular weight of 447.55 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(4-fluorophenoxy)-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(4-fluorophenoxy)-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methylpropanamide
PubChem CID164531775
Molecular FormulaC28H30FNO3
Molecular Weight447.55 g/mol
Exact Mass447.22
IUPAC NameN-(cyclopropylmethyl)-2-(4-fluorophenoxy)-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methylpropanamide
SMILESCOCc1ccc(-c2ccc(N(CC3CC3)C(=O)C(C)(C)Oc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C28H30FNO3/c1-28(2,33-26-16-12-24(29)13-17-26)27(31)30(18-20-4-5-20)25-14-10-23(11-15-25)22-8-6-21(7-9-22)19-32-3/h6-17,20H,4-5,18-19H2,1-3H3
InChIKeyCCKRVJFWXOYOCQ-UHFFFAOYSA-N
XLogP6.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.55
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-(4-fluorophenoxy)-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methylpropanamide
CID 164531898
2-[N-[2-(4-fluorophenoxy)-2-methylpropanoyl]-4-[4-(methoxymethyl)phenyl]anilino]butanoic acid
CID 174226898
N-[4-[2-fluoro-4-(methoxymethyl)phenyl]phenyl]-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
CID 164531894
N-cyclopropyl-2-(4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 78813870
N-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide
CID 78845257
methyl 2-[N-[(4-fluorophenyl)methyl]-4-[4-(trifluoromethoxy)phenyl]anilino]-2-oxoacetate
CID 59820829
N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
CID 86927380
2-(4-fluorophenoxy)-2-methyl-N,N-bis(prop-2-enyl)propanamide
CID 78800718
2-(4-fluorophenyl)-N-[4-[4-(methoxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 164531756
N-(cyclopropylmethyl)-2-(3-fluoro-5-methylphenyl)-N-(4-methoxyphenyl)acetamide
CID 166372254
tert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate
CID 153425981
2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide
CID 86990942

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(4-fluorophenoxy)-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(4-fluorophenoxy)-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methylpropanamide (CID 164531775) is N-(cyclopropylmethyl)-2-(4-fluorophenoxy)-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(4-fluorophenoxy)-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(4-fluorophenoxy)-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methylpropanamide is COCc1ccc(-c2ccc(N(CC3CC3)C(=O)C(C)(C)Oc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(4-fluorophenoxy)-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methylpropanamide?
The InChIKey is CCKRVJFWXOYOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FNO3/c1-28(2,33-26-16-12-24(29)13-17-26)27(31)30(18-20-4-5-20)25-14-10-23(11-15-25)22-8-6-21(7-9-22)19-32-3/h6-17,20H,4-5,18-19H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-2-(4-fluorophenoxy)-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methylpropanamide?
N-(cyclopropylmethyl)-2-(4-fluorophenoxy)-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methylpropanamide has a molecular weight of 447.55 g/mol, XLogP of 6.24, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(4-fluorophenoxy)-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 164531775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).