2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide

C22H31N3O2 — CID 4559208

IUPAC2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide
SMILESCCCN(CC(=O)N(Cc1cccn1Cc1ccccc1)C(C)C)C(C)=O
InChIInChI=1S/C22H31N3O2/c1-5-13-23(19(4)26)17-22(27)25(18(2)3)16-21-12-9-14-24(21)15-20-10-7-6-8-11-20/h6-12,14,18H,5,13,15-17H2,1-4H3
InChIKeyJHPBHGSMWXZTRQ-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.53
Rot. Bonds9

About 2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide

2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 4559208) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide
PubChem CID4559208
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide
SMILESCCCN(CC(=O)N(Cc1cccn1Cc1ccccc1)C(C)C)C(C)=O
InChIInChI=1S/C22H31N3O2/c1-5-13-23(19(4)26)17-22(27)25(18(2)3)16-21-12-9-14-24(21)15-20-10-7-6-8-11-20/h6-12,14,18H,5,13,15-17H2,1-4H3
InChIKeyJHPBHGSMWXZTRQ-UHFFFAOYSA-N
XLogP3.53
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-3,3-dimethyl-N-propylbutanamide
CID 4238453
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide
CID 5025115
2-[acetyl(propan-2-yl)amino]-N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]acetamide
CID 3993556
(E)-N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-butyl-3-phenylprop-2-enamide
CID 42776782
N-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide
CID 42764431
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 3269455
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(3-methoxypropyl)heptanamide
CID 4528927
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3975085
N-[(1-benzylpyrrol-2-yl)methyl]-2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-propan-2-ylacetamide
CID 3920695
N-[(1-benzylpyrrol-2-yl)methyl]-2-methoxy-N-propan-2-ylacetamide
CID 810212
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-ethylthiophene-2-carboxamide
CID 42776771
N-[(1-benzylpyrrol-2-yl)methyl]-N-propylhexanamide
CID 4542851

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide (CID 4559208) is 2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide is CCCN(CC(=O)N(Cc1cccn1Cc1ccccc1)C(C)C)C(C)=O.
What is the InChIKey of 2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is JHPBHGSMWXZTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-5-13-23(19(4)26)17-22(27)25(18(2)3)16-21-12-9-14-24(21)15-20-10-7-6-8-11-20/h6-12,14,18H,5,13,15-17H2,1-4H3.
What are the key properties of 2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide?
2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 369.51 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 4559208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).