N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C24H34ClN3O4 — CID 3373531

IUPACN-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCCN(Cc1cccn1C)C(=O)CN(CCCOC)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C24H34ClN3O4/c1-4-5-14-27(17-21-8-6-13-26(21)2)23(29)18-28(15-7-16-31-3)24(30)19-32-22-11-9-20(25)10-12-22/h6,8-13H,4-5,7,14-19H2,1-3H3
InChIKeyCDYHGRDUYFTZQO-UHFFFAOYSA-N
MW464.01 g/mol
LogP3.75
Rot. Bonds14

About N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 3373531) has the molecular formula C24H34ClN3O4 and a molecular weight of 464.01 g/mol. Its IUPAC name is N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID3373531
Molecular FormulaC24H34ClN3O4
Molecular Weight464.01 g/mol
Exact Mass463.22
IUPAC NameN-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCCN(Cc1cccn1C)C(=O)CN(CCCOC)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C24H34ClN3O4/c1-4-5-14-27(17-21-8-6-13-26(21)2)23(29)18-28(15-7-16-31-3)24(30)19-32-22-11-9-20(25)10-12-22/h6,8-13H,4-5,7,14-19H2,1-3H3
InChIKeyCDYHGRDUYFTZQO-UHFFFAOYSA-N
XLogP3.75
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.01
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3490295
2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4222099
2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3902809
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetamide
CID 3906128
2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4286427
2-[[2-(4-chlorophenoxy)acetyl]-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4244155
4-butoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 5184759
2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3373535
4-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4636812
N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide
CID 42759885
N-butyl-4-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4289174
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42767486

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 3373531) is N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCCCN(Cc1cccn1C)C(=O)CN(CCCOC)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is CDYHGRDUYFTZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN3O4/c1-4-5-14-27(17-21-8-6-13-26(21)2)23(29)18-28(15-7-16-31-3)24(30)19-32-22-11-9-20(25)10-12-22/h6,8-13H,4-5,7,14-19H2,1-3H3.
What are the key properties of N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 464.01 g/mol, XLogP of 3.75, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3373531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).