3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide

C23H29N3O2 — CID 51151148

IUPAC3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-3-26(4-2)21(17-9-6-5-7-10-17)16-24-22(27)19-11-8-12-20(15-19)25-23(28)18-13-14-18/h5-12,15,18,21H,3-4,13-14,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyKDSMDZRXVFHKBQ-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.85
Rot. Bonds9

About 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide

3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide (PubChem CID 51151148) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide
PubChem CID51151148
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-3-26(4-2)21(17-9-6-5-7-10-17)16-24-22(27)19-11-8-12-20(15-19)25-23(28)18-13-14-18/h5-12,15,18,21H,3-4,13-14,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyKDSMDZRXVFHKBQ-UHFFFAOYSA-N
XLogP3.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)benzamide
CID 51088978
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide
CID 24671977
3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230301
3-acetamido-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42910974
N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide
CID 31591035
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
CID 30600577
3-(cyclohexanecarbonylamino)-N-(2-hydroxypropyl)benzamide
CID 78866245
3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide
CID 31444384

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide (CID 51151148) is 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide is CCN(CC)C(CNC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide?
The InChIKey is KDSMDZRXVFHKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-26(4-2)21(17-9-6-5-7-10-17)16-24-22(27)19-11-8-12-20(15-19)25-23(28)18-13-14-18/h5-12,15,18,21H,3-4,13-14,16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide?
3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide is sourced from PubChem (CID 51151148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).