N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide

C21H29N3O3 — CID 87018409

IUPACN-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide
SMILESCC(C)CCN(C)C(C)C(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C21H29N3O3/c1-15(2)11-12-24(4)16(3)20(25)23-19-10-6-5-9-18(19)21(26)22-14-17-8-7-13-27-17/h5-10,13,15-16H,11-12,14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyKEFIGNCSLAMASG-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.51
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide

N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide (PubChem CID 87018409) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide
PubChem CID87018409
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide
SMILESCC(C)CCN(C)C(C)C(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C21H29N3O3/c1-15(2)11-12-24(4)16(3)20(25)23-19-10-6-5-9-18(19)21(26)22-14-17-8-7-13-27-17/h5-10,13,15-16H,11-12,14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyKEFIGNCSLAMASG-UHFFFAOYSA-N
XLogP3.51
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide
CID 86928259
N-(furan-2-ylmethyl)-2-[[(2S)-2-(4-methyl-N-methylsulfonylanilino)propanoyl]amino]benzamide
CID 2234210
2-[[(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 2222477
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1317708
N-(furan-2-ylmethyl)-2-[[(2R)-2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]amino]benzamide
CID 126146621
2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 4932109
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
2-[2-aminoethyl(methyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 61348725
N-(2-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526612
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178254

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide (CID 87018409) is N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide is CC(C)CCN(C)C(C)C(=O)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide?
The InChIKey is KEFIGNCSLAMASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15(2)11-12-24(4)16(3)20(25)23-19-10-6-5-9-18(19)21(26)22-14-17-8-7-13-27-17/h5-10,13,15-16H,11-12,14H2,1-4H3,(H,22,26)(H,23,25).
What are the key properties of N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide?
N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide has a molecular weight of 371.48 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide is sourced from PubChem (CID 87018409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).