3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide

C20H27ClN2O4 — CID 55332491

IUPAC3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCC(c2ccco2)N(C)C)cc1OCC
InChIInChI=1S/C20H27ClN2O4/c1-5-9-27-19-15(21)11-14(12-18(19)25-6-2)20(24)22-13-16(23(3)4)17-8-7-10-26-17/h7-8,10-12,16H,5-6,9,13H2,1-4H3,(H,22,24)
InChIKeyGCCRYBPFMIRDRQ-UHFFFAOYSA-N
MW394.90 g/mol
LogP4.15
Rot. Bonds10

About 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide

3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide (PubChem CID 55332491) has the molecular formula C20H27ClN2O4 and a molecular weight of 394.90 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide
PubChem CID55332491
Molecular FormulaC20H27ClN2O4
Molecular Weight394.90 g/mol
Exact Mass394.17
IUPAC Name3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCC(c2ccco2)N(C)C)cc1OCC
InChIInChI=1S/C20H27ClN2O4/c1-5-9-27-19-15(21)11-14(12-18(19)25-6-2)20(24)22-13-16(23(3)4)17-8-7-10-26-17/h7-8,10-12,16H,5-6,9,13H2,1-4H3,(H,22,24)
InChIKeyGCCRYBPFMIRDRQ-UHFFFAOYSA-N
XLogP4.15
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide
CID 51145070
3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide
CID 19114423
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 51162709
N'-(3-chloro-5-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 9476532
3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide
CID 120652489
N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 119996833
3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 9246200
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide
CID 18224809
3,4,5-triethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 7972668
3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 112502933
3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide
CID 56530425

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide (CID 55332491) is 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NCC(c2ccco2)N(C)C)cc1OCC.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide?
The InChIKey is GCCRYBPFMIRDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O4/c1-5-9-27-19-15(21)11-14(12-18(19)25-6-2)20(24)22-13-16(23(3)4)17-8-7-10-26-17/h7-8,10-12,16H,5-6,9,13H2,1-4H3,(H,22,24).
What are the key properties of 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide?
3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide has a molecular weight of 394.90 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 55332491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).