2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C21H29N3O2 — CID 3672152

IUPAC2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccn1C)CC(C)C
InChIInChI=1S/C21H29N3O2/c1-17(2)13-23(18(3)25)16-21(26)24(14-19-9-6-5-7-10-19)15-20-11-8-12-22(20)4/h5-12,17H,13-16H2,1-4H3
InChIKeyDRKJHXRUDLLQSP-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.06
Rot. Bonds8

About 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 3672152) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID3672152
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccn1C)CC(C)C
InChIInChI=1S/C21H29N3O2/c1-17(2)13-23(18(3)25)16-21(26)24(14-19-9-6-5-7-10-19)15-20-11-8-12-22(20)4/h5-12,17H,13-16H2,1-4H3
InChIKeyDRKJHXRUDLLQSP-UHFFFAOYSA-N
XLogP3.06
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3642493
N-benzyl-2-[2-methylpropyl-(2-phenoxyacetyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767406
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
CID 42767413
N-benzyl-2-(butan-2-ylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767327
N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
CID 42767748
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 3309616
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
N-[(2S)-butan-2-yl]-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 7225275
2-[acetyl(2-methylpropyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-(2-methoxyethyl)acetamide
CID 4306873
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)-3-methylbutanamide
CID 42767381
2-bromo-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 42767757

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 3672152) is 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CC(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccn1C)CC(C)C.
What is the InChIKey of 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is DRKJHXRUDLLQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-17(2)13-23(18(3)25)16-21(26)24(14-19-9-6-5-7-10-19)15-20-11-8-12-22(20)4/h5-12,17H,13-16H2,1-4H3.
What are the key properties of 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 355.48 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3672152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).