N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C19H27N3O5 — CID 3498628

IUPACN-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCOCCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)COC
InChIInChI=1S/C19H27N3O5/c1-20-8-4-6-16(20)12-22(13-17-7-5-10-27-17)18(23)14-21(9-11-25-2)19(24)15-26-3/h4-8,10H,9,11-15H2,1-3H3
InChIKeyRHGGCWNLSIDLHM-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.27
Rot. Bonds11

About N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 3498628) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID3498628
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC NameN-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCOCCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)COC
InChIInChI=1S/C19H27N3O5/c1-20-8-4-6-16(20)12-22(13-17-7-5-10-27-17)18(23)14-21(9-11-25-2)19(24)15-26-3/h4-8,10H,9,11-15H2,1-3H3
InChIKeyRHGGCWNLSIDLHM-UHFFFAOYSA-N
XLogP1.27
TPSA77.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3373535
2-[(4-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4029795
N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(3-methylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3981967
3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide
CID 5174064
N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-phenylbenzamide
CID 3999522
4-bromo-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4015195
3,5-dichloro-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 3434169
3-chloro-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4039810
2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4222099
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42768147
N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-1,3-benzodioxole-5-carboxamide
CID 4223955
N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide
CID 5038649

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 3498628) is N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is COCCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)COC.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is RHGGCWNLSIDLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-20-8-4-6-16(20)12-22(13-17-7-5-10-27-17)18(23)14-21(9-11-25-2)19(24)15-26-3/h4-8,10H,9,11-15H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 377.44 g/mol, XLogP of 1.27, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3498628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).