4-[cyclopropylmethyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-methylbutanamide;hydrochloride

C25H34ClFN2O3 — CID 142758285

IUPAC4-[cyclopropylmethyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-methylbutanamide;hydrochloride
SMILESCNC(=O)CCCN(CCc1ccc(OCc2cccc(F)c2)c(OC)c1)CC1CC1.Cl
InChIInChI=1S/C25H33FN2O3.ClH/c1-27-25(29)7-4-13-28(17-20-8-9-20)14-12-19-10-11-23(24(16-19)30-2)31-18-21-5-3-6-22(26)15-21;/h3,5-6,10-11,15-16,20H,4,7-9,12-14,17-18H2,1-2H3,(H,27,29);1H
InChIKeyQAJKVFSZNRTQDB-UHFFFAOYSA-N
MW465.01 g/mol
LogP4.62
Rot. Bonds13

About 4-[cyclopropylmethyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-methylbutanamide;hydrochloride

4-[cyclopropylmethyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-methylbutanamide;hydrochloride (PubChem CID 142758285) has the molecular formula C25H34ClFN2O3 and a molecular weight of 465.01 g/mol. Its IUPAC name is 4-[cyclopropylmethyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-[cyclopropylmethyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-methylbutanamide;hydrochloride
PubChem CID142758285
Molecular FormulaC25H34ClFN2O3
Molecular Weight465.01 g/mol
Exact Mass464.22
IUPAC Name4-[cyclopropylmethyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-methylbutanamide;hydrochloride
SMILESCNC(=O)CCCN(CCc1ccc(OCc2cccc(F)c2)c(OC)c1)CC1CC1.Cl
InChIInChI=1S/C25H33FN2O3.ClH/c1-27-25(29)7-4-13-28(17-20-8-9-20)14-12-19-10-11-23(24(16-19)30-2)31-18-21-5-3-6-22(26)15-21;/h3,5-6,10-11,15-16,20H,4,7-9,12-14,17-18H2,1-2H3,(H,27,29);1H
InChIKeyQAJKVFSZNRTQDB-UHFFFAOYSA-N
XLogP4.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.01
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(oxolan-3-ylmethyl)amino]-N-methylacetamide
CID 25017722
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride
CID 66591709
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]-N-methylacetamide
CID 59596835
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride
CID 66591267
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-[1-(1H-imidazol-5-yl)ethyl]amino]-N-methylacetamide;hydrochloride
CID 66591385
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetic acid
CID 142696090
methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate
CID 59596823
3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866274
tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate
CID 59596853
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
CID 66591165
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 66591901
4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene
CID 29053593

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-methylbutanamide;hydrochloride?
The IUPAC name of 4-[cyclopropylmethyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-methylbutanamide;hydrochloride (CID 142758285) is 4-[cyclopropylmethyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 4-[cyclopropylmethyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-methylbutanamide;hydrochloride?
The canonical SMILES for 4-[cyclopropylmethyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-methylbutanamide;hydrochloride is CNC(=O)CCCN(CCc1ccc(OCc2cccc(F)c2)c(OC)c1)CC1CC1.Cl.
What is the InChIKey of 4-[cyclopropylmethyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-methylbutanamide;hydrochloride?
The InChIKey is QAJKVFSZNRTQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O3.ClH/c1-27-25(29)7-4-13-28(17-20-8-9-20)14-12-19-10-11-23(24(16-19)30-2)31-18-21-5-3-6-22(26)15-21;/h3,5-6,10-11,15-16,20H,4,7-9,12-14,17-18H2,1-2H3,(H,27,29);1H.
What are the key properties of 4-[cyclopropylmethyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-methylbutanamide;hydrochloride?
4-[cyclopropylmethyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-methylbutanamide;hydrochloride has a molecular weight of 465.01 g/mol, XLogP of 4.62, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 142758285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).