N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide

C16H20N2O2 — CID 50821667

IUPACN-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
SMILESCCC(=O)Nc1ccc(C2(C(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C16H20N2O2/c1-2-14(19)17-12-5-3-11(4-6-12)16(9-10-16)15(20)18-13-7-8-13/h3-6,13H,2,7-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyQHTUQDIZUHLWBA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.35
Rot. Bonds5

About N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide

N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide (PubChem CID 50821667) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
PubChem CID50821667
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
SMILESCCC(=O)Nc1ccc(C2(C(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C16H20N2O2/c1-2-14(19)17-12-5-3-11(4-6-12)16(9-10-16)15(20)18-13-7-8-13/h3-6,13H,2,7-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyQHTUQDIZUHLWBA-UHFFFAOYSA-N
XLogP2.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 53110546
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N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821432
1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557949
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 42047243
N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]propanamide
CID 53110577
1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide
CID 50822228
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822156
N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821480
N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822210

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide (CID 50821667) is N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide is CCC(=O)Nc1ccc(C2(C(=O)NC3CC3)CC2)cc1.
What is the InChIKey of N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide?
The InChIKey is QHTUQDIZUHLWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-14(19)17-12-5-3-11(4-6-12)16(9-10-16)15(20)18-13-7-8-13/h3-6,13H,2,7-10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide?
N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 50821667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).