3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide

C20H22N2O3 — CID 33047741

IUPAC3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide
SMILESO=C(NCCCOc1ccccc1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C20H22N2O3/c23-19(21-12-5-13-25-18-8-2-1-3-9-18)16-6-4-7-17(14-16)22-20(24)15-10-11-15/h1-4,6-9,14-15H,5,10-13H2,(H,21,23)(H,22,24)
InChIKeyJWPVQEDMUUVXQE-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.23
Rot. Bonds8

About 3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide

3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide (PubChem CID 33047741) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide
PubChem CID33047741
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide
SMILESO=C(NCCCOc1ccccc1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C20H22N2O3/c23-19(21-12-5-13-25-18-8-2-1-3-9-18)16-6-4-7-17(14-16)22-20(24)15-10-11-15/h1-4,6-9,14-15H,5,10-13H2,(H,21,23)(H,22,24)
InChIKeyJWPVQEDMUUVXQE-UHFFFAOYSA-N
XLogP3.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.23
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

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CID 55879231
N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119384006
3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide
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2-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]ethylsulfanyl]acetic acid
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3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
3-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)benzamide
CID 51088978
N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide
CID 55724790
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
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CID 35604613

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide (CID 33047741) is 3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide is O=C(NCCCOc1ccccc1)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide?
The InChIKey is JWPVQEDMUUVXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(21-12-5-13-25-18-8-2-1-3-9-18)16-6-4-7-17(14-16)22-20(24)15-10-11-15/h1-4,6-9,14-15H,5,10-13H2,(H,21,23)(H,22,24).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide?
3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide is sourced from PubChem (CID 33047741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).