3-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)benzamide

C20H22N2O3 — CID 51088978

IUPAC3-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)benzamide
SMILESCOC(CNC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-25-18(14-6-3-2-4-7-14)13-21-19(23)16-8-5-9-17(12-16)22-20(24)15-10-11-15/h2-9,12,15,18H,10-11,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyBXMJHNLPTJKENL-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.15
Rot. Bonds7

About 3-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)benzamide

3-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)benzamide (PubChem CID 51088978) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)benzamide
PubChem CID51088978
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)benzamide
SMILESCOC(CNC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-25-18(14-6-3-2-4-7-14)13-21-19(23)16-8-5-9-17(12-16)22-20(24)15-10-11-15/h2-9,12,15,18H,10-11,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyBXMJHNLPTJKENL-UHFFFAOYSA-N
XLogP3.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 40603945
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5-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 86980110
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CID 33047741
3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
CID 30600577
3-(cyclohexanecarbonylamino)-N-(2-hydroxypropyl)benzamide
CID 78866245
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide
CID 31444384
methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate
CID 60609882
3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide
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3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)benzamide (CID 51088978) is 3-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)benzamide is COC(CNC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)benzamide?
The InChIKey is BXMJHNLPTJKENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-18(14-6-3-2-4-7-14)13-21-19(23)16-8-5-9-17(12-16)22-20(24)15-10-11-15/h2-9,12,15,18H,10-11,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)benzamide?
3-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)benzamide is sourced from PubChem (CID 51088978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).