N-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide

C17H20N2O — CID 75509288

IUPACN-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide
SMILESO=C(CCCn1cccc1)NC1CC1c1ccccc1
InChIInChI=1S/C17H20N2O/c20-17(9-6-12-19-10-4-5-11-19)18-16-13-15(16)14-7-2-1-3-8-14/h1-5,7-8,10-11,15-16H,6,9,12-13H2,(H,18,20)
InChIKeyONKIXIZHPMCTHZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.94
Rot. Bonds6

About N-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide

N-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide (PubChem CID 75509288) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide
PubChem CID75509288
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide
SMILESO=C(CCCn1cccc1)NC1CC1c1ccccc1
InChIInChI=1S/C17H20N2O/c20-17(9-6-12-19-10-4-5-11-19)18-16-13-15(16)14-7-2-1-3-8-14/h1-5,7-8,10-11,15-16H,6,9,12-13H2,(H,18,20)
InChIKeyONKIXIZHPMCTHZ-UHFFFAOYSA-N
XLogP2.94
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S,2R)-2-phenylcyclopropyl]propanamide
CID 95191281
N-[(1R,2S)-2-phenylcyclopropyl]-4-(1H-pyrazol-4-yl)butanamide
CID 74244776
3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide
CID 95191262
2-(3-aminopyrazol-1-yl)-N-(2-phenylcyclopropyl)acetamide
CID 62113920
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide
CID 86768199
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide
CID 62498054
N-[(1S,2R)-2-phenylcyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 95191269
N-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-4-(2-oxo-1-pyridinyl)butanamide
CID 139011544
1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
CID 47764322
2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 92859467

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide?
The IUPAC name of N-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide (CID 75509288) is N-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide?
The canonical SMILES for N-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide is O=C(CCCn1cccc1)NC1CC1c1ccccc1.
What is the InChIKey of N-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide?
The InChIKey is ONKIXIZHPMCTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(9-6-12-19-10-4-5-11-19)18-16-13-15(16)14-7-2-1-3-8-14/h1-5,7-8,10-11,15-16H,6,9,12-13H2,(H,18,20).
What are the key properties of N-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide?
N-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide has a molecular weight of 268.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide is sourced from PubChem (CID 75509288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).