N-(3-ethoxypropyl)-2-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide

C24H35N3O5 — CID 3393516

IUPACN-(3-ethoxypropyl)-2-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
SMILESCCOCCCN(CC(=O)N(CCOC)Cc1cccn1C)C(=O)c1ccccc1OC
InChIInChI=1S/C24H35N3O5/c1-5-32-16-9-14-27(24(29)21-11-6-7-12-22(21)31-4)19-23(28)26(15-17-30-3)18-20-10-8-13-25(20)2/h6-8,10-13H,5,9,14-19H2,1-4H3
InChIKeyNVNAQHUVRBOKSG-UHFFFAOYSA-N
MW445.56 g/mol
LogP2.58
Rot. Bonds14

About N-(3-ethoxypropyl)-2-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide

N-(3-ethoxypropyl)-2-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 3393516) has the molecular formula C24H35N3O5 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
PubChem CID3393516
Molecular FormulaC24H35N3O5
Molecular Weight445.56 g/mol
Exact Mass445.26
IUPAC NameN-(3-ethoxypropyl)-2-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
SMILESCCOCCCN(CC(=O)N(CCOC)Cc1cccn1C)C(=O)c1ccccc1OC
InChIInChI=1S/C24H35N3O5/c1-5-32-16-9-14-27(24(29)21-11-6-7-12-22(21)31-4)19-23(28)26(15-17-30-3)18-20-10-8-13-25(20)2/h6-8,10-13H,5,9,14-19H2,1-4H3
InChIKeyNVNAQHUVRBOKSG-UHFFFAOYSA-N
XLogP2.58
TPSA73.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-4-fluoro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 3982515
2,6-dimethoxy-N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 4317190
N-butyl-4-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4289174
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-fluoro-N-(3-methoxypropyl)benzamide
CID 4033820
4-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4636812
4-butoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 5184759
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42767486
3,5-dichloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 5126765
2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42768091
2-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 4681270
N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-methylbutanamide
CID 5135866
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)naphthalene-2-carboxamide
CID 4541254

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-2-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide (CID 3393516) is N-(3-ethoxypropyl)-2-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide is CCOCCCN(CC(=O)N(CCOC)Cc1cccn1C)C(=O)c1ccccc1OC.
What is the InChIKey of N-(3-ethoxypropyl)-2-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?
The InChIKey is NVNAQHUVRBOKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O5/c1-5-32-16-9-14-27(24(29)21-11-6-7-12-22(21)31-4)19-23(28)26(15-17-30-3)18-20-10-8-13-25(20)2/h6-8,10-13H,5,9,14-19H2,1-4H3.
What are the key properties of N-(3-ethoxypropyl)-2-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?
N-(3-ethoxypropyl)-2-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 445.56 g/mol, XLogP of 2.58, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 3393516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).