N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide

C16H22N2O — CID 104583828

IUPACN-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide
SMILESC=CCCC(C)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C16H22N2O/c1-3-4-6-12(2)17-14-7-5-8-15(11-14)18-16(19)13-9-10-13/h3,5,7-8,11-13,17H,1,4,6,9-10H2,2H3,(H,18,19)
InChIKeyMGBWEJIIKQAHCY-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.80
Rot. Bonds7

About N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide

N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide (PubChem CID 104583828) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide
PubChem CID104583828
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide
SMILESC=CCCC(C)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C16H22N2O/c1-3-4-6-12(2)17-14-7-5-8-15(11-14)18-16(19)13-9-10-13/h3,5,7-8,11-13,17H,1,4,6,9-10H2,2H3,(H,18,19)
InChIKeyMGBWEJIIKQAHCY-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 43201742
N-[3-(hex-5-en-2-ylamino)phenyl]propanamide
CID 104583829
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate
CID 66173088
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 79201789
N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 62726652
3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide
CID 51158620
N-[3-(1-cyclopropylpropan-2-ylamino)phenyl]acetamide
CID 115916889
N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119710490
N-(3-formamidophenyl)cyclopropanecarboxamide
CID 64991224
N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104584017

Frequently Asked Questions

What is the IUPAC name of N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide (CID 104583828) is N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide is C=CCCC(C)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is MGBWEJIIKQAHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-4-6-12(2)17-14-7-5-8-15(11-14)18-16(19)13-9-10-13/h3,5,7-8,11-13,17H,1,4,6,9-10H2,2H3,(H,18,19).
What are the key properties of N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide?
N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 258.37 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 104583828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).