N-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C22H26N2O4 — CID 55616234

IUPACN-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCCC(NC(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccc(OC)cc1
InChIInChI=1S/C22H26N2O4/c1-3-20(15-9-11-18(27-2)12-10-15)24-21(25)14-28-19-6-4-5-17(13-19)23-22(26)16-7-8-16/h4-6,9-13,16,20H,3,7-8,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyZFLRHKJBHGHWNG-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.69
Rot. Bonds9

About N-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 55616234) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID55616234
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCCC(NC(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccc(OC)cc1
InChIInChI=1S/C22H26N2O4/c1-3-20(15-9-11-18(27-2)12-10-15)24-21(25)14-28-19-6-4-5-17(13-19)23-22(26)16-7-8-16/h4-6,9-13,16,20H,3,7-8,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyZFLRHKJBHGHWNG-UHFFFAOYSA-N
XLogP3.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 46546821
N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55618064
2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18192757
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 40662016
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
N-[3-[2-(3,5-difluoro-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 87031657
1-(3-ethoxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea
CID 100652655
(E)-2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]hex-4-enoic acid
CID 120692841
N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide
CID 99993947

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 55616234) is N-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is CCC(NC(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccc(OC)cc1.
What is the InChIKey of N-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is ZFLRHKJBHGHWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-3-20(15-9-11-18(27-2)12-10-15)24-21(25)14-28-19-6-4-5-17(13-19)23-22(26)16-7-8-16/h4-6,9-13,16,20H,3,7-8,14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55616234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).