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

C17H26N2O — CID 43201742

IUPACN-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide
SMILESCC(C)CCC(C)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H26N2O/c1-12(2)7-8-13(3)18-15-5-4-6-16(11-15)19-17(20)14-9-10-14/h4-6,11-14,18H,7-10H2,1-3H3,(H,19,20)
InChIKeyGQVXQUZZMQKCTG-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.27
Rot. Bonds7

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

N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide (PubChem CID 43201742) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide
PubChem CID43201742
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide
SMILESCC(C)CCC(C)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H26N2O/c1-12(2)7-8-13(3)18-15-5-4-6-16(11-15)19-17(20)14-9-10-14/h4-6,11-14,18H,7-10H2,1-3H3,(H,19,20)
InChIKeyGQVXQUZZMQKCTG-UHFFFAOYSA-N
XLogP4.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide (CID 43201742) is N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide is CC(C)CCC(C)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is GQVXQUZZMQKCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)7-8-13(3)18-15-5-4-6-16(11-15)19-17(20)14-9-10-14/h4-6,11-14,18H,7-10H2,1-3H3,(H,19,20).
What are the key properties of N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide?
N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 274.41 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 43201742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).