N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide

C21H31N3O3 — CID 3620431

IUPACN-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
SMILESCCCCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)C(C)C
InChIInChI=1S/C21H31N3O3/c1-5-6-12-23(21(26)17(2)3)16-20(25)24(15-19-10-8-13-27-19)14-18-9-7-11-22(18)4/h7-11,13,17H,5-6,12,14-16H2,1-4H3
InChIKeyZOFRRLPZRSPWLQ-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.43
Rot. Bonds10

About N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide

N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide (PubChem CID 3620431) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
PubChem CID3620431
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
SMILESCCCCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)C(C)C
InChIInChI=1S/C21H31N3O3/c1-5-6-12-23(21(26)17(2)3)16-20(25)24(15-19-10-8-13-27-19)14-18-9-7-11-22(18)4/h7-11,13,17H,5-6,12,14-16H2,1-4H3
InChIKeyZOFRRLPZRSPWLQ-UHFFFAOYSA-N
XLogP3.43
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]acetamide
CID 4018859
2-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4272707
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42767486
N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 4002712
2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4222099
2-[butan-2-yl(butylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3276636
N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide
CID 5038649
N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 42767360
2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4546809
N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide
CID 5121435
N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 7327419
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]nonanamide
CID 5106815

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide (CID 3620431) is N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide is CCCCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)C(C)C.
What is the InChIKey of N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide?
The InChIKey is ZOFRRLPZRSPWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-5-6-12-23(21(26)17(2)3)16-20(25)24(15-19-10-8-13-27-19)14-18-9-7-11-22(18)4/h7-11,13,17H,5-6,12,14-16H2,1-4H3.
What are the key properties of N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide?
N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide has a molecular weight of 373.50 g/mol, XLogP of 3.43, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 3620431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).