N-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-(2-methylpropylamino)acetamide

C23H35N3O — CID 42768566

IUPACN-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-(2-methylpropylamino)acetamide
SMILESCCCCN(Cc1cccn1Cc1cccc(C)c1)C(=O)CNCC(C)C
InChIInChI=1S/C23H35N3O/c1-5-6-12-26(23(27)16-24-15-19(2)3)18-22-11-8-13-25(22)17-21-10-7-9-20(4)14-21/h7-11,13-14,19,24H,5-6,12,15-18H2,1-4H3
InChIKeyXPBGHNIRYVEDKE-UHFFFAOYSA-N
MW369.55 g/mol
LogP4.22
Rot. Bonds11

About N-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-(2-methylpropylamino)acetamide

N-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-(2-methylpropylamino)acetamide (PubChem CID 42768566) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is N-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-(2-methylpropylamino)acetamide.

Molecular Properties

Compound NameN-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-(2-methylpropylamino)acetamide
PubChem CID42768566
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC NameN-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-(2-methylpropylamino)acetamide
SMILESCCCCN(Cc1cccn1Cc1cccc(C)c1)C(=O)CNCC(C)C
InChIInChI=1S/C23H35N3O/c1-5-6-12-26(23(27)16-24-15-19(2)3)18-22-11-8-13-25(22)17-21-10-7-9-20(4)14-21/h7-11,13-14,19,24H,5-6,12,15-18H2,1-4H3
InChIKeyXPBGHNIRYVEDKE-UHFFFAOYSA-N
XLogP4.22
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-(2-methylpropylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[butyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-2-methyl-N-(3-methylbutyl)propanamide
CID 4649920
2-[acetyl(butan-2-yl)amino]-N-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide
CID 4040673
N-butyl-2-[(2-chloroacetyl)-propan-2-ylamino]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide
CID 3944399
N-butan-2-yl-N-[2-[butyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 3999443
N-[2-[butyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 3610990
N-butyl-2-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide
CID 42762987
N-[2-[butyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylbenzamide
CID 42770169
N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-methylbutanamide
CID 3560933
N-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-[(2-phenoxyacetyl)-propylamino]acetamide
CID 3927256
N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-methylbutanamide
CID 42763071
1-butyl-3-(3-chlorophenyl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 3268466
N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide
CID 5219910

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-(2-methylpropylamino)acetamide?
The IUPAC name of N-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-(2-methylpropylamino)acetamide (CID 42768566) is N-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-(2-methylpropylamino)acetamide.
What is the SMILES notation for N-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-(2-methylpropylamino)acetamide?
The canonical SMILES for N-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-(2-methylpropylamino)acetamide is CCCCN(Cc1cccn1Cc1cccc(C)c1)C(=O)CNCC(C)C.
What is the InChIKey of N-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-(2-methylpropylamino)acetamide?
The InChIKey is XPBGHNIRYVEDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O/c1-5-6-12-26(23(27)16-24-15-19(2)3)18-22-11-8-13-25(22)17-21-10-7-9-20(4)14-21/h7-11,13-14,19,24H,5-6,12,15-18H2,1-4H3.
What are the key properties of N-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-(2-methylpropylamino)acetamide?
N-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-(2-methylpropylamino)acetamide has a molecular weight of 369.55 g/mol, XLogP of 4.22, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-(2-methylpropylamino)acetamide is sourced from PubChem (CID 42768566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).