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

C22H31N3O3 — CID 3642493

IUPACN-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCOCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccn1C)CC(C)C
InChIInChI=1S/C22H31N3O3/c1-18(2)13-24(22(27)17-28-4)16-21(26)25(14-19-9-6-5-7-10-19)15-20-11-8-12-23(20)3/h5-12,18H,13-17H2,1-4H3
InChIKeySYOGCFSCMIHVRR-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.68
Rot. Bonds10

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

N-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 3642493) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID3642493
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCOCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccn1C)CC(C)C
InChIInChI=1S/C22H31N3O3/c1-18(2)13-24(22(27)17-28-4)16-21(26)25(14-19-9-6-5-7-10-19)15-20-11-8-12-23(20)3/h5-12,18H,13-17H2,1-4H3
InChIKeySYOGCFSCMIHVRR-UHFFFAOYSA-N
XLogP2.68
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-methylpropyl-(2-phenoxyacetyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767406
2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3672152
N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
CID 42767748
N-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4082449
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
CID 42767413
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-(2-methoxyethyl)-3-phenylpropanamide
CID 3903306
N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 4292187
2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-N-propylacetamide
CID 42759988
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)-3-methylbutanamide
CID 42767381
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-butan-2-yl]propanamide
CID 7296721
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 3395331

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of N-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 3642493) is N-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for N-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is COCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccn1C)CC(C)C.
What is the InChIKey of N-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is SYOGCFSCMIHVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-18(2)13-24(22(27)17-28-4)16-21(26)25(14-19-9-6-5-7-10-19)15-20-11-8-12-23(20)3/h5-12,18H,13-17H2,1-4H3.
What are the key properties of N-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
N-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 385.51 g/mol, XLogP of 2.68, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3642493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).