N-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N'-[2-(dimethylamino)ethyl]-N'-[(1-ethylpyrrolidin-2-yl)methyl]oxamide

C24H41N5O4 — CID 166401642

IUPACN-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N'-[2-(dimethylamino)ethyl]-N'-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
SMILESCCN1CCCC1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1
InChIInChI=1S/C24H41N5O4/c1-7-28-12-8-9-20(28)18-29(14-13-26(2)3)24(31)23(30)25-19-10-11-21(22(17-19)32-6)33-16-15-27(4)5/h10-11,17,20H,7-9,12-16,18H2,1-6H3,(H,25,30)
InChIKeyNAYSQERGXUAYRK-UHFFFAOYSA-N
MW463.62 g/mol
LogP1.45
Rot. Bonds12

About N-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N'-[2-(dimethylamino)ethyl]-N'-[(1-ethylpyrrolidin-2-yl)methyl]oxamide

N-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N'-[2-(dimethylamino)ethyl]-N'-[(1-ethylpyrrolidin-2-yl)methyl]oxamide (PubChem CID 166401642) has the molecular formula C24H41N5O4 and a molecular weight of 463.62 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N'-[2-(dimethylamino)ethyl]-N'-[(1-ethylpyrrolidin-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N'-[2-(dimethylamino)ethyl]-N'-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
PubChem CID166401642
Molecular FormulaC24H41N5O4
Molecular Weight463.62 g/mol
Exact Mass463.32
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N'-[2-(dimethylamino)ethyl]-N'-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
SMILESCCN1CCCC1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1
InChIInChI=1S/C24H41N5O4/c1-7-28-12-8-9-20(28)18-29(14-13-26(2)3)24(31)23(30)25-19-10-11-21(22(17-19)32-6)33-16-15-27(4)5/h10-11,17,20H,7-9,12-16,18H2,1-6H3,(H,25,30)
InChIKeyNAYSQERGXUAYRK-UHFFFAOYSA-N
XLogP1.45
TPSA77.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylbenzamide
CID 86777814
1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea
CID 94802947
1-[2-(dimethylamino)ethyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 102558441
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
CID 79672225
4-amino-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
CID 135213471
N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 51105924
3-cyano-N-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide
CID 94820244
1-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111261614
N'-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 51973291
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113117582
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-methoxy-4-propoxyphenyl)methyl]methanamine
CID 29241785
1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea
CID 60612121

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N'-[2-(dimethylamino)ethyl]-N'-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N'-[2-(dimethylamino)ethyl]-N'-[(1-ethylpyrrolidin-2-yl)methyl]oxamide (CID 166401642) is N-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N'-[2-(dimethylamino)ethyl]-N'-[(1-ethylpyrrolidin-2-yl)methyl]oxamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N'-[2-(dimethylamino)ethyl]-N'-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N'-[2-(dimethylamino)ethyl]-N'-[(1-ethylpyrrolidin-2-yl)methyl]oxamide is CCN1CCCC1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N'-[2-(dimethylamino)ethyl]-N'-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
The InChIKey is NAYSQERGXUAYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O4/c1-7-28-12-8-9-20(28)18-29(14-13-26(2)3)24(31)23(30)25-19-10-11-21(22(17-19)32-6)33-16-15-27(4)5/h10-11,17,20H,7-9,12-16,18H2,1-6H3,(H,25,30).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N'-[2-(dimethylamino)ethyl]-N'-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
N-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N'-[2-(dimethylamino)ethyl]-N'-[(1-ethylpyrrolidin-2-yl)methyl]oxamide has a molecular weight of 463.62 g/mol, XLogP of 1.45, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N'-[2-(dimethylamino)ethyl]-N'-[(1-ethylpyrrolidin-2-yl)methyl]oxamide is sourced from PubChem (CID 166401642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).