2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide

C20H27N3O3 — CID 55837756

IUPAC2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)NCc1ccccc1CN(C)C(C)C
InChIInChI=1S/C20H27N3O3/c1-14(2)23(4)13-17-8-6-5-7-16(17)11-21-19(24)12-22-20(25)18-9-10-26-15(18)3/h5-10,14H,11-13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyYDQJQYQPVKPDMD-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.47
Rot. Bonds8

About 2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide

2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide (PubChem CID 55837756) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
PubChem CID55837756
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)NCc1ccccc1CN(C)C(C)C
InChIInChI=1S/C20H27N3O3/c1-14(2)23(4)13-17-8-6-5-7-16(17)11-21-19(24)12-22-20(25)18-9-10-26-15(18)3/h5-10,14H,11-13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyYDQJQYQPVKPDMD-UHFFFAOYSA-N
XLogP2.47
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide with MolForge

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Related Compounds

2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
CID 55826262
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-naphthalen-2-ylacetamide
CID 46455853
2-(4-bromophenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]acetamide
CID 46470222
2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride
CID 119946480
4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 55837884
4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564545
2-methyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
CID 35352937
2-methyl-N-[2-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 95631821
N-[2-[(5-bromo-2-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55829982
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 47935324
3-(2,4-dimethylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide
CID 46470304
N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 109389252

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide (CID 55837756) is 2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide is Cc1occc1C(=O)NCC(=O)NCc1ccccc1CN(C)C(C)C.
What is the InChIKey of 2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is YDQJQYQPVKPDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(2)23(4)13-17-8-6-5-7-16(17)11-21-19(24)12-22-20(25)18-9-10-26-15(18)3/h5-10,14H,11-13H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of 2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide?
2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 55837756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).