3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide

C19H26N4O4 — CID 60543252

IUPAC3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C19H26N4O4/c1-22(2)15(17-7-6-10-27-17)12-20-19(25)21-14-11-13(18(24)23(3)4)8-9-16(14)26-5/h6-11,15H,12H2,1-5H3,(H2,20,21,25)
InChIKeyACIVDKFSBAHGOW-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.41
Rot. Bonds7

About 3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide

3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide (PubChem CID 60543252) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
PubChem CID60543252
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C19H26N4O4/c1-22(2)15(17-7-6-10-27-17)12-20-19(25)21-14-11-13(18(24)23(3)4)8-9-16(14)26-5/h6-11,15H,12H2,1-5H3,(H2,20,21,25)
InChIKeyACIVDKFSBAHGOW-UHFFFAOYSA-N
XLogP2.41
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 16875570
4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide
CID 47325512
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 51162709
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55332179
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 41453426
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea
CID 71865561
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454099
1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 78839937
1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60549291
4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 60543450
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
CID 17494246

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide (CID 60543252) is 3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide is COc1ccc(C(=O)N(C)C)cc1NC(=O)NCC(c1ccco1)N(C)C.
What is the InChIKey of 3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide?
The InChIKey is ACIVDKFSBAHGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-22(2)15(17-7-6-10-27-17)12-20-19(25)21-14-11-13(18(24)23(3)4)8-9-16(14)26-5/h6-11,15H,12H2,1-5H3,(H2,20,21,25).
What are the key properties of 3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide?
3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide has a molecular weight of 374.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 60543252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).