4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide

C22H26N2O3 — CID 24658372

IUPAC4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide
SMILESCC(OCCCNC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-16(17-6-3-2-4-7-17)27-15-5-14-23-21(25)18-10-12-20(13-11-18)24-22(26)19-8-9-19/h2-4,6-7,10-13,16,19H,5,8-9,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyZTYICVIPHGLFQA-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.93
Rot. Bonds9

About 4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide

4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide (PubChem CID 24658372) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide
PubChem CID24658372
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide
SMILESCC(OCCCNC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-16(17-6-3-2-4-7-17)27-15-5-14-23-21(25)18-10-12-20(13-11-18)24-22(26)19-8-9-19/h2-4,6-7,10-13,16,19H,5,8-9,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyZTYICVIPHGLFQA-UHFFFAOYSA-N
XLogP3.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569
4-(ethylsulfanylmethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55898740
4-(cyclobutanecarbonylamino)-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 95124395
4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 95124394
3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 46421326
5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide
CID 46632667
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119219053
4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572169
3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide
CID 33047741
4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide
CID 55907767
3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693830

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide (CID 24658372) is 4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide is CC(OCCCNC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide?
The InChIKey is ZTYICVIPHGLFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(17-6-3-2-4-7-17)27-15-5-14-23-21(25)18-10-12-20(13-11-18)24-22(26)19-8-9-19/h2-4,6-7,10-13,16,19H,5,8-9,14-15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide?
4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide is sourced from PubChem (CID 24658372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).