N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C21H28N2O3 — CID 78768077

IUPACN-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCC(C)CCC(C)NC(=O)C(Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C21H28N2O3/c1-15(2)11-12-16(3)22-20(24)18(14-17-8-5-4-6-9-17)23-21(25)19-10-7-13-26-19/h4-10,13,15-16,18H,11-12,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyQEOZNVZESORSRL-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.56
Rot. Bonds9

About N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 78768077) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID78768077
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCC(C)CCC(C)NC(=O)C(Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C21H28N2O3/c1-15(2)11-12-16(3)22-20(24)18(14-17-8-5-4-6-9-17)23-21(25)19-10-7-13-26-19/h4-10,13,15-16,18H,11-12,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyQEOZNVZESORSRL-UHFFFAOYSA-N
XLogP3.56
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

3-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119220848
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119223465
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide
CID 78775920
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 51332524
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
N-[1-[(2-methyl-2-phenylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55612800
N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 2207439
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 119629009

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 78768077) is N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is CC(C)CCC(C)NC(=O)C(Cc1ccccc1)NC(=O)c1ccco1.
What is the InChIKey of N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is QEOZNVZESORSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15(2)11-12-16(3)22-20(24)18(14-17-8-5-4-6-9-17)23-21(25)19-10-7-13-26-19/h4-10,13,15-16,18H,11-12,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 78768077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).