N-[5-methyl-2-(3-oxooctan-4-ylamino)hex-1-en-3-yl]-1-benzofuran-2-carboxamide

C24H34N2O3 — CID 156865073

IUPACN-[5-methyl-2-(3-oxooctan-4-ylamino)hex-1-en-3-yl]-1-benzofuran-2-carboxamide
SMILESC=C(NC(CCCC)C(=O)CC)C(CC(C)C)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C24H34N2O3/c1-6-8-12-19(21(27)7-2)25-17(5)20(14-16(3)4)26-24(28)23-15-18-11-9-10-13-22(18)29-23/h9-11,13,15-16,19-20,25H,5-8,12,14H2,1-4H3,(H,26,28)
InChIKeyMBABASPBGLTCAG-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.22
Rot. Bonds12

About N-[5-methyl-2-(3-oxooctan-4-ylamino)hex-1-en-3-yl]-1-benzofuran-2-carboxamide

N-[5-methyl-2-(3-oxooctan-4-ylamino)hex-1-en-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 156865073) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[5-methyl-2-(3-oxooctan-4-ylamino)hex-1-en-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-(3-oxooctan-4-ylamino)hex-1-en-3-yl]-1-benzofuran-2-carboxamide
PubChem CID156865073
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC NameN-[5-methyl-2-(3-oxooctan-4-ylamino)hex-1-en-3-yl]-1-benzofuran-2-carboxamide
SMILESC=C(NC(CCCC)C(=O)CC)C(CC(C)C)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C24H34N2O3/c1-6-8-12-19(21(27)7-2)25-17(5)20(14-16(3)4)26-24(28)23-15-18-11-9-10-13-22(18)29-23/h9-11,13,15-16,19-20,25H,5-8,12,14H2,1-4H3,(H,26,28)
InChIKeyMBABASPBGLTCAG-UHFFFAOYSA-N
XLogP5.22
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-methyl-2-[(7-methyl-3-oxooctan-4-yl)amino]hex-1-en-3-yl]-1-benzofuran-2-carboxamide
CID 166768063
N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119585558
N-[(2S)-1-[[4-(2-hydroxyphenoxy)-3-oxobut-1-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 11396766
N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide
CID 113376830
methyl 2-(1-benzofuran-2-carbonylamino)-3-hydroxypropanoate
CID 43405796
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide
CID 111662507
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
2-(1-benzofuran-2-carbonylamino)-4-methylsulfanylbutanoic acid
CID 24709322
N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-1-benzofuran-2-carboxamide
CID 9049628

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(3-oxooctan-4-ylamino)hex-1-en-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[5-methyl-2-(3-oxooctan-4-ylamino)hex-1-en-3-yl]-1-benzofuran-2-carboxamide (CID 156865073) is N-[5-methyl-2-(3-oxooctan-4-ylamino)hex-1-en-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[5-methyl-2-(3-oxooctan-4-ylamino)hex-1-en-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[5-methyl-2-(3-oxooctan-4-ylamino)hex-1-en-3-yl]-1-benzofuran-2-carboxamide is C=C(NC(CCCC)C(=O)CC)C(CC(C)C)NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[5-methyl-2-(3-oxooctan-4-ylamino)hex-1-en-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is MBABASPBGLTCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-6-8-12-19(21(27)7-2)25-17(5)20(14-16(3)4)26-24(28)23-15-18-11-9-10-13-22(18)29-23/h9-11,13,15-16,19-20,25H,5-8,12,14H2,1-4H3,(H,26,28).
What are the key properties of N-[5-methyl-2-(3-oxooctan-4-ylamino)hex-1-en-3-yl]-1-benzofuran-2-carboxamide?
N-[5-methyl-2-(3-oxooctan-4-ylamino)hex-1-en-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 5.22, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(3-oxooctan-4-ylamino)hex-1-en-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 156865073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).