4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide

C16H23N3O3 — CID 60510107

IUPAC4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CN(CCO)C2CC2)cc1
InChIInChI=1S/C16H23N3O3/c1-18(2)16(22)12-3-5-13(6-4-12)17-15(21)11-19(9-10-20)14-7-8-14/h3-6,14,20H,7-11H2,1-2H3,(H,17,21)
InChIKeyRLWMUZYSCZOEPG-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.78
Rot. Bonds7

About 4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide

4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 60510107) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID60510107
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CN(CCO)C2CC2)cc1
InChIInChI=1S/C16H23N3O3/c1-18(2)16(22)12-3-5-13(6-4-12)17-15(21)11-19(9-10-20)14-7-8-14/h3-6,14,20H,7-11H2,1-2H3,(H,17,21)
InChIKeyRLWMUZYSCZOEPG-UHFFFAOYSA-N
XLogP0.78
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 60509867
N-(4-bromophenyl)-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 60911559
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 60911412
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 55850115
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 60510265
N-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60509972
N-(3-chloro-4-methylphenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102677060
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 110892083
2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 78825041
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(4-fluorophenyl)acetamide
CID 102848391
2-[cyclohexyl(2-hydroxyethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 110881770

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide (CID 60510107) is 4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)CN(CCO)C2CC2)cc1.
What is the InChIKey of 4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is RLWMUZYSCZOEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-18(2)16(22)12-3-5-13(6-4-12)17-15(21)11-19(9-10-20)14-7-8-14/h3-6,14,20H,7-11H2,1-2H3,(H,17,21).
What are the key properties of 4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 305.38 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 60510107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).