N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]butanamide

C20H35N3O2 — CID 42767720

IUPACN-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]butanamide
SMILESCCCC(=O)N(CC(=O)N(Cc1cccn1C)CC(C)C)C(C)CC
InChIInChI=1S/C20H35N3O2/c1-7-10-19(24)23(17(5)8-2)15-20(25)22(13-16(3)4)14-18-11-9-12-21(18)6/h9,11-12,16-17H,7-8,10,13-15H2,1-6H3
InChIKeyJFOOOGUPXSWGLJ-UHFFFAOYSA-N
MW349.52 g/mol
LogP3.44
Rot. Bonds10

About N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]butanamide

N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]butanamide (PubChem CID 42767720) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]butanamide
PubChem CID42767720
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC NameN-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]butanamide
SMILESCCCC(=O)N(CC(=O)N(Cc1cccn1C)CC(C)C)C(C)CC
InChIInChI=1S/C20H35N3O2/c1-7-10-19(24)23(17(5)8-2)15-20(25)22(13-16(3)4)14-18-11-9-12-21(18)6/h9,11-12,16-17H,7-8,10,13-15H2,1-6H3
InChIKeyJFOOOGUPXSWGLJ-UHFFFAOYSA-N
XLogP3.44
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 7225275
2-[butan-2-yl(dimethylcarbamoyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3374435
N-butan-2-yl-4-ethyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 42767731
N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide
CID 3672154
N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
CID 42767748
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]hexanamide
CID 7216163
2-[(2-bromophenyl)carbamoyl-butan-2-ylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 5238100
2-[butan-2-yl-[(3-chlorophenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 5115216
2-[butan-2-yl-[(4-cyanophenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3965380
2-[acetyl(butan-2-yl)amino]-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767446
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-butan-2-yl]propanamide
CID 7296721
2,2-dimethyl-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
CID 3337711

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]butanamide?
The IUPAC name of N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]butanamide (CID 42767720) is N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]butanamide.
What is the SMILES notation for N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]butanamide?
The canonical SMILES for N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]butanamide is CCCC(=O)N(CC(=O)N(Cc1cccn1C)CC(C)C)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]butanamide?
The InChIKey is JFOOOGUPXSWGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-7-10-19(24)23(17(5)8-2)15-20(25)22(13-16(3)4)14-18-11-9-12-21(18)6/h9,11-12,16-17H,7-8,10,13-15H2,1-6H3.
What are the key properties of N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]butanamide?
N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]butanamide has a molecular weight of 349.52 g/mol, XLogP of 3.44, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]butanamide is sourced from PubChem (CID 42767720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).