N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide

C24H33N3O2 — CID 3473022

IUPACN-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide
SMILESCCCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)c1ccc(CC)cc1
InChIInChI=1S/C24H33N3O2/c1-4-6-16-26(24(29)20-11-9-19(5-2)10-12-20)18-23(28)27(21-13-14-21)17-22-8-7-15-25(22)3/h7-12,15,21H,4-6,13-14,16-18H2,1-3H3
InChIKeyRQBWXQVZDLSSER-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.02
Rot. Bonds10

About N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide

N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide (PubChem CID 3473022) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide
PubChem CID3473022
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide
SMILESCCCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)c1ccc(CC)cc1
InChIInChI=1S/C24H33N3O2/c1-4-6-16-26(24(29)20-11-9-19(5-2)10-12-20)18-23(28)27(21-13-14-21)17-22-8-7-15-25(22)3/h7-12,15,21H,4-6,13-14,16-18H2,1-3H3
InChIKeyRQBWXQVZDLSSER-UHFFFAOYSA-N
XLogP4.02
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide
CID 1200621
4-butyl-N-cyclohexyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4042196
N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide
CID 42767804
N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 4675917
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-nitro-N-propylbenzamide
CID 4044009
4-bromo-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropylbenzamide
CID 3933936
2-[butyl-(2-phenylmethoxyacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3953868
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
CID 4237806
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbutanamide
CID 5002955
3-bromo-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4043231
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide
CID 4044022
N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide
CID 42767816

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide?
The IUPAC name of N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide (CID 3473022) is N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide.
What is the SMILES notation for N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide?
The canonical SMILES for N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide is CCCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)c1ccc(CC)cc1.
What is the InChIKey of N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide?
The InChIKey is RQBWXQVZDLSSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-4-6-16-26(24(29)20-11-9-19(5-2)10-12-20)18-23(28)27(21-13-14-21)17-22-8-7-15-25(22)3/h7-12,15,21H,4-6,13-14,16-18H2,1-3H3.
What are the key properties of N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide?
N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide has a molecular weight of 395.55 g/mol, XLogP of 4.02, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide is sourced from PubChem (CID 3473022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).