N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide

C21H29N3O3 — CID 51145103

IUPACN-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C21H29N3O3/c1-5-15(2)19(23-20(25)16-10-7-6-8-11-16)21(26)22-14-17(24(3)4)18-12-9-13-27-18/h6-13,15,17,19H,5,14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyYCDLWHRJUIAHRW-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.84
Rot. Bonds9

About N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide

N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 51145103) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID51145103
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C21H29N3O3/c1-5-15(2)19(23-20(25)16-10-7-6-8-11-16)21(26)22-14-17(24(3)4)18-12-9-13-27-18/h6-13,15,17,19H,5,14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyYCDLWHRJUIAHRW-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55936274
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119528058
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide
CID 94775937
1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 47216311
N-[(2S)-1-[[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 52519417
3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid
CID 64895752
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
CID 51145105
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
(E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide
CID 110302117

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide (CID 51145103) is N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccccc1)C(=O)NCC(c1ccco1)N(C)C.
What is the InChIKey of N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is YCDLWHRJUIAHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-5-15(2)19(23-20(25)16-10-7-6-8-11-16)21(26)22-14-17(24(3)4)18-12-9-13-27-18/h6-13,15,17,19H,5,14H2,1-4H3,(H,22,26)(H,23,25).
What are the key properties of N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 371.48 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 51145103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).