N,N-dimethyl-4-[[2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetyl]amino]benzamide

C21H27N3O3 — CID 17403292

IUPACN,N-dimethyl-4-[[2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetyl]amino]benzamide
SMILESCC1CC1c1ccc(CN(C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)o1
InChIInChI=1S/C21H27N3O3/c1-14-11-18(14)19-10-9-17(27-19)12-24(4)13-20(25)22-16-7-5-15(6-8-16)21(26)23(2)3/h5-10,14,18H,11-13H2,1-4H3,(H,22,25)
InChIKeyXWOVGCLMEGYUJS-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.18
Rot. Bonds7

About N,N-dimethyl-4-[[2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetyl]amino]benzamide

N,N-dimethyl-4-[[2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetyl]amino]benzamide (PubChem CID 17403292) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetyl]amino]benzamide
PubChem CID17403292
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN,N-dimethyl-4-[[2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetyl]amino]benzamide
SMILESCC1CC1c1ccc(CN(C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)o1
InChIInChI=1S/C21H27N3O3/c1-14-11-18(14)19-10-9-17(27-19)12-24(4)13-20(25)22-16-7-5-15(6-8-16)21(26)23(2)3/h5-10,14,18H,11-13H2,1-4H3,(H,22,25)
InChIKeyXWOVGCLMEGYUJS-UHFFFAOYSA-N
XLogP3.18
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 41416990
2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 41416992
N-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide
CID 40882664
2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42927357
4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8900899
N-methyl-N-[2-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 94150490
4-[[(E)-2-cyano-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 9247639
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9102879
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide
CID 106853385
N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide
CID 9302751
N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102980

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetyl]amino]benzamide (CID 17403292) is N,N-dimethyl-4-[[2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetyl]amino]benzamide is CC1CC1c1ccc(CN(C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)o1.
What is the InChIKey of N,N-dimethyl-4-[[2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetyl]amino]benzamide?
The InChIKey is XWOVGCLMEGYUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-11-18(14)19-10-9-17(27-19)12-24(4)13-20(25)22-16-7-5-15(6-8-16)21(26)23(2)3/h5-10,14,18H,11-13H2,1-4H3,(H,22,25).
What are the key properties of N,N-dimethyl-4-[[2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetyl]amino]benzamide?
N,N-dimethyl-4-[[2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetyl]amino]benzamide has a molecular weight of 369.47 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 17403292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).