4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide

C15H22N2O2 — CID 114750159

IUPAC4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCC2(CCO)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-16-14(19)13-4-2-12(3-5-13)10-17-11-15(6-7-15)8-9-18/h2-5,17-18H,6-11H2,1H3,(H,16,19)
InChIKeyGAZIOSZPNQNELH-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.30
Rot. Bonds7

About 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide

4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide (PubChem CID 114750159) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide
PubChem CID114750159
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCC2(CCO)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-16-14(19)13-4-2-12(3-5-13)10-17-11-15(6-7-15)8-9-18/h2-5,17-18H,6-11H2,1H3,(H,16,19)
InChIKeyGAZIOSZPNQNELH-UHFFFAOYSA-N
XLogP1.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide
CID 111114516
methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate
CID 103923539
4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 109477037
4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide
CID 103741169
2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 99839662
4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide
CID 115453093
4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide
CID 60984984
2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol
CID 114750364
N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide
CID 79478656
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide
CID 81414423
4-[(heptylamino)methyl]-N-methylbenzamide
CID 43114052
2-[1-[[(4-bromo-3-nitrophenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750104

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide (CID 114750159) is 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNCC2(CCO)CC2)cc1.
What is the InChIKey of 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide?
The InChIKey is GAZIOSZPNQNELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-14(19)13-4-2-12(3-5-13)10-17-11-15(6-7-15)8-9-18/h2-5,17-18H,6-11H2,1H3,(H,16,19).
What are the key properties of 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide?
4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 114750159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).