N-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide

C17H26N2O — CID 63946276

IUPACN-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide
SMILESCCCCC(CC)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-3-5-6-14(4-2)18-15-9-11-16(12-10-15)19-17(20)13-7-8-13/h9-14,18H,3-8H2,1-2H3,(H,19,20)
InChIKeyIZEJJMVBBOFPBZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.42
Rot. Bonds8

About N-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide

N-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide (PubChem CID 63946276) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide
PubChem CID63946276
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide
SMILESCCCCC(CC)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-3-5-6-14(4-2)18-15-9-11-16(12-10-15)19-17(20)13-7-8-13/h9-14,18H,3-8H2,1-2H3,(H,19,20)
InChIKeyIZEJJMVBBOFPBZ-UHFFFAOYSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119668361
N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide
CID 82359770
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
N-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide
CID 82254675
2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate
CID 52709382
N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide
CID 82254939
N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide
CID 82259804
4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 64792837
N-[4-(4-hydroxypentanoylamino)phenyl]cyclopropanecarboxamide
CID 79193207
1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
N-[4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252836
4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 19206977

Frequently Asked Questions

What is the IUPAC name of N-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide (CID 63946276) is N-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide is CCCCC(CC)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is IZEJJMVBBOFPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-5-6-14(4-2)18-15-9-11-16(12-10-15)19-17(20)13-7-8-13/h9-14,18H,3-8H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide?
N-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 274.41 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 63946276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).