N-[3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide

C18H21N3O5 — CID 38033861

IUPACN-[3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CCNC(=O)c2ccoc2)c1
InChIInChI=1S/C18H21N3O5/c1-21(11-16(22)20-14-4-3-5-15(10-14)25-2)17(23)6-8-19-18(24)13-7-9-26-12-13/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyNSGMHGHBSCYMKD-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.51
Rot. Bonds8

About N-[3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide

N-[3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide (PubChem CID 38033861) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide
PubChem CID38033861
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC NameN-[3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CCNC(=O)c2ccoc2)c1
InChIInChI=1S/C18H21N3O5/c1-21(11-16(22)20-14-4-3-5-15(10-14)25-2)17(23)6-8-19-18(24)13-7-9-26-12-13/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyNSGMHGHBSCYMKD-UHFFFAOYSA-N
XLogP1.51
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9418791
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555605
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26618245
N-[2-(3-methoxyphenyl)ethyl]furan-3-carboxamide
CID 47041893
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9006710
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 26618232
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7936435
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8914073

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-[3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide (CID 38033861) is N-[3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide is COc1cccc(NC(=O)CN(C)C(=O)CCNC(=O)c2ccoc2)c1.
What is the InChIKey of N-[3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide?
The InChIKey is NSGMHGHBSCYMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-21(11-16(22)20-14-4-3-5-15(10-14)25-2)17(23)6-8-19-18(24)13-7-9-26-12-13/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,19,24)(H,20,22).
What are the key properties of N-[3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide?
N-[3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 38033861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).