3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide

C24H34N4O3 — CID 56514095

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)CCNC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H34N4O3/c1-4-28(5-2)17-18-31-22-14-10-9-13-21(22)26-23(29)15-16-25-24(30)27(3)19-20-11-7-6-8-12-20/h6-14H,4-5,15-19H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyBCSHCASUOJZPQO-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.58
Rot. Bonds12

About 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide (PubChem CID 56514095) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide
PubChem CID56514095
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)CCNC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H34N4O3/c1-4-28(5-2)17-18-31-22-14-10-9-13-21(22)26-23(29)15-16-25-24(30)27(3)19-20-11-7-6-8-12-20/h6-14H,4-5,15-19H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyBCSHCASUOJZPQO-UHFFFAOYSA-N
XLogP3.58
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 56540324
3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide;dihydrochloride
CID 119841506
N-[2-[2-(diethylamino)ethoxy]phenyl]pentanamide
CID 71898997
N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(2,4-dimethylphenoxy)propanamide
CID 55580634
3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 109023136
2-(3,4-dichlorophenyl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 17499285
N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
CID 120568392
3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropanamide;dihydrochloride
CID 119952938
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
CID 56516138
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide
CID 55965654
1-benzyl-3-[(2-ethoxyphenoxy)methyl]-1-methylurea
CID 108877231
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide (CID 56514095) is 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide is CCN(CC)CCOc1ccccc1NC(=O)CCNC(=O)N(C)Cc1ccccc1.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide?
The InChIKey is BCSHCASUOJZPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-4-28(5-2)17-18-31-22-14-10-9-13-21(22)26-23(29)15-16-25-24(30)27(3)19-20-11-7-6-8-12-20/h6-14H,4-5,15-19H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide has a molecular weight of 426.56 g/mol, XLogP of 3.58, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide is sourced from PubChem (CID 56514095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).