N-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide

C15H24N2O2 — CID 62175742

IUPACN-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCO)C(=O)c1ccc(NC)cc1
InChIInChI=1S/C15H24N2O2/c1-4-14(5-2)17(10-11-18)15(19)12-6-8-13(16-3)9-7-12/h6-9,14,16,18H,4-5,10-11H2,1-3H3
InChIKeyVTLDASIKPNREGO-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.35
Rot. Bonds7

About N-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide

N-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide (PubChem CID 62175742) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide
PubChem CID62175742
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCO)C(=O)c1ccc(NC)cc1
InChIInChI=1S/C15H24N2O2/c1-4-14(5-2)17(10-11-18)15(19)12-6-8-13(16-3)9-7-12/h6-9,14,16,18H,4-5,10-11H2,1-3H3
InChIKeyVTLDASIKPNREGO-UHFFFAOYSA-N
XLogP2.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 102851517
3,4-dihydroxy-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 107728479
N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
CID 54993744
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 54995378
5-hydroxy-N-(2-hydroxyethyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 63850846
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylamino)benzamide
CID 103191131
N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 43573520
N-(2-bromoethyl)-4-iodo-N-pentan-3-ylbenzamide
CID 80671837
2-(ethylamino)-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 62175910
N-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide
CID 62920536
3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
CID 63797282
N-methyl-4-(methylamino)-N-propan-2-ylbenzamide
CID 62166180

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide (CID 62175742) is N-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide is CCC(CC)N(CCO)C(=O)c1ccc(NC)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide?
The InChIKey is VTLDASIKPNREGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-14(5-2)17(10-11-18)15(19)12-6-8-13(16-3)9-7-12/h6-9,14,16,18H,4-5,10-11H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide?
N-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide has a molecular weight of 264.37 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide is sourced from PubChem (CID 62175742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).