N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide

C24H27N3O4 — CID 55618064

IUPACN-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C24H27N3O4/c1-15(16-9-11-19(12-10-16)26-23(29)17-5-6-17)25-22(28)14-31-21-4-2-3-20(13-21)27-24(30)18-7-8-18/h2-4,9-13,15,17-18H,5-8,14H2,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyXFWVARJAUZLQFP-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.64
Rot. Bonds9

About N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 55618064) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID55618064
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C24H27N3O4/c1-15(16-9-11-19(12-10-16)26-23(29)17-5-6-17)25-22(28)14-31-21-4-2-3-20(13-21)27-24(30)18-7-8-18/h2-4,9-13,15,17-18H,5-8,14H2,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyXFWVARJAUZLQFP-UHFFFAOYSA-N
XLogP3.64
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46474980
N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595082
N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021116
N-[4-[1-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021118
N-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616234
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021122
tert-butyl (2S)-2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-4-methylpentanoate
CID 75380920
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 46546821
N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 119498857
N-[3-[2-[(3-methyl-2-phenylbutyl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46433039

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide (CID 55618064) is N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide is CC(NC(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is XFWVARJAUZLQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-15(16-9-11-19(12-10-16)26-23(29)17-5-6-17)25-22(28)14-31-21-4-2-3-20(13-21)27-24(30)18-7-8-18/h2-4,9-13,15,17-18H,5-8,14H2,1H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.64, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55618064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).