N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

C20H28N4O3 — CID 9152019

IUPACN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCC(C)NC(=O)NCc1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)cc1
InChIInChI=1S/C20H28N4O3/c1-14(2)23-20(26)22-12-15-7-9-16(10-8-15)19(25)21-13-17(24(3)4)18-6-5-11-27-18/h5-11,14,17H,12-13H2,1-4H3,(H,21,25)(H2,22,23,26)/t17-/m1/s1
InChIKeyFUZOVKGQNZAWGS-QGZVFWFLSA-N
MW372.47 g/mol
LogP2.52
Rot. Bonds8

About N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (PubChem CID 9152019) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
PubChem CID9152019
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCC(C)NC(=O)NCc1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)cc1
InChIInChI=1S/C20H28N4O3/c1-14(2)23-20(26)22-12-15-7-9-16(10-8-15)19(25)21-13-17(24(3)4)18-6-5-11-27-18/h5-11,14,17H,12-13H2,1-4H3,(H,21,25)(H2,22,23,26)/t17-/m1/s1
InChIKeyFUZOVKGQNZAWGS-QGZVFWFLSA-N
XLogP2.52
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium
CID 9152013
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9369212
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
CID 51145105
4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 46426488
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9207204
1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 47216311
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
1-[[4-(benzamidocarbamoyl)phenyl]methyl]-3-propan-2-ylurea
CID 40727881
4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide
CID 43232712
6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 66462156

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (CID 9152019) is N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is CC(C)NC(=O)NCc1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The InChIKey is FUZOVKGQNZAWGS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14(2)23-20(26)22-12-15-7-9-16(10-8-15)19(25)21-13-17(24(3)4)18-6-5-11-27-18/h5-11,14,17H,12-13H2,1-4H3,(H,21,25)(H2,22,23,26)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide has a molecular weight of 372.47 g/mol, XLogP of 2.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is sourced from PubChem (CID 9152019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).