2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide

C22H27NO — CID 171097114

IUPAC2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCCC1CC1C(=O)NC(c1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C22H27NO/c1-4-16-14-20(16)22(24)23-21(18-8-6-5-7-9-18)19-12-10-17(11-13-19)15(2)3/h5-13,15-16,20-21H,4,14H2,1-3H3,(H,23,24)
InChIKeyXVYLLWWXLKEKBZ-UHFFFAOYSA-N
MW321.46 g/mol
LogP5.06
Rot. Bonds6

About 2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide

2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 171097114) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID171097114
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCCC1CC1C(=O)NC(c1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C22H27NO/c1-4-16-14-20(16)22(24)23-21(18-8-6-5-7-9-18)19-12-10-17(11-13-19)15(2)3/h5-13,15-16,20-21H,4,14H2,1-3H3,(H,23,24)
InChIKeyXVYLLWWXLKEKBZ-UHFFFAOYSA-N
XLogP5.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2R)-2-ethyl-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 134523880
cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide
CID 134523878
cis-(1R,2S)-2-(carbamoylamino)-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 171097050
2-(carbamoylamino)-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 176904214
cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide
CID 2547181
trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide
CID 124738701
2-[[(4-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975095
2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975218
ethane;(4R)-4-fluoro-1-methyl-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 171097415
(1R,6R)-6-(benzhydrylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 1139576
[2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid
CID 175570339
1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165140067

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide (CID 171097114) is 2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide is CCC1CC1C(=O)NC(c1ccccc1)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is XVYLLWWXLKEKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-4-16-14-20(16)22(24)23-21(18-8-6-5-7-9-18)19-12-10-17(11-13-19)15(2)3/h5-13,15-16,20-21H,4,14H2,1-3H3,(H,23,24).
What are the key properties of 2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide?
2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 321.46 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171097114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).