2-[[(2R)-2-(2-ethylphenoxy)propyl]amino]-N-(2-hydroxyethyl)-N,3-dimethylpentanamide

C20H34N2O3 — CID 143168533

IUPAC2-[[(2R)-2-(2-ethylphenoxy)propyl]amino]-N-(2-hydroxyethyl)-N,3-dimethylpentanamide
SMILESCCc1ccccc1O[C@H](C)CNC(C(=O)N(C)CCO)C(C)CC
InChIInChI=1S/C20H34N2O3/c1-6-15(3)19(20(24)22(5)12-13-23)21-14-16(4)25-18-11-9-8-10-17(18)7-2/h8-11,15-16,19,21,23H,6-7,12-14H2,1-5H3/t15?,16-,19?/m1/s1
InChIKeyNSXVNAKRWLOGMI-KOHRHEQBSA-N
MW350.50 g/mol
LogP2.47
Rot. Bonds11

About 2-[[(2R)-2-(2-ethylphenoxy)propyl]amino]-N-(2-hydroxyethyl)-N,3-dimethylpentanamide

2-[[(2R)-2-(2-ethylphenoxy)propyl]amino]-N-(2-hydroxyethyl)-N,3-dimethylpentanamide (PubChem CID 143168533) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is 2-[[(2R)-2-(2-ethylphenoxy)propyl]amino]-N-(2-hydroxyethyl)-N,3-dimethylpentanamide.

Molecular Properties

Compound Name2-[[(2R)-2-(2-ethylphenoxy)propyl]amino]-N-(2-hydroxyethyl)-N,3-dimethylpentanamide
PubChem CID143168533
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name2-[[(2R)-2-(2-ethylphenoxy)propyl]amino]-N-(2-hydroxyethyl)-N,3-dimethylpentanamide
SMILESCCc1ccccc1O[C@H](C)CNC(C(=O)N(C)CCO)C(C)CC
InChIInChI=1S/C20H34N2O3/c1-6-15(3)19(20(24)22(5)12-13-23)21-14-16(4)25-18-11-9-8-10-17(18)7-2/h8-11,15-16,19,21,23H,6-7,12-14H2,1-5H3/t15?,16-,19?/m1/s1
InChIKeyNSXVNAKRWLOGMI-KOHRHEQBSA-N
XLogP2.47
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(2R)-2-(2-ethylphenoxy)propyl]amino]-N-(2-hydroxyethyl)-N,3-dimethylpentanamide with MolForge

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Related Compounds

1-butan-2-yloxy-2-ethylbenzene
CID 64763289
2-(2-ethylphenoxy)-N-propylpropan-1-amine
CID 62486791
N,3-dimethyl-2-(methylamino)-N-[2-oxo-2-(2-oxoethylamino)ethyl]pentanamide;1-ethyl-2-propan-2-yloxybenzene;N-methylpropan-1-amine;toluene
CID 143168437
N-benzyl-2-(2-ethylphenoxy)-N-methylpropanamide
CID 132760201
N-[2-(2-ethylphenoxy)propyl]pentan-1-amine
CID 63517041
(2R)-2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 92672742
1-(2-ethylphenoxy)ethanol
CID 154419184
methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
N,N-dimethyl-2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43778094

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2-ethylphenoxy)propyl]amino]-N-(2-hydroxyethyl)-N,3-dimethylpentanamide?
The IUPAC name of 2-[[(2R)-2-(2-ethylphenoxy)propyl]amino]-N-(2-hydroxyethyl)-N,3-dimethylpentanamide (CID 143168533) is 2-[[(2R)-2-(2-ethylphenoxy)propyl]amino]-N-(2-hydroxyethyl)-N,3-dimethylpentanamide.
What is the SMILES notation for 2-[[(2R)-2-(2-ethylphenoxy)propyl]amino]-N-(2-hydroxyethyl)-N,3-dimethylpentanamide?
The canonical SMILES for 2-[[(2R)-2-(2-ethylphenoxy)propyl]amino]-N-(2-hydroxyethyl)-N,3-dimethylpentanamide is CCc1ccccc1O[C@H](C)CNC(C(=O)N(C)CCO)C(C)CC.
What is the InChIKey of 2-[[(2R)-2-(2-ethylphenoxy)propyl]amino]-N-(2-hydroxyethyl)-N,3-dimethylpentanamide?
The InChIKey is NSXVNAKRWLOGMI-KOHRHEQBSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-6-15(3)19(20(24)22(5)12-13-23)21-14-16(4)25-18-11-9-8-10-17(18)7-2/h8-11,15-16,19,21,23H,6-7,12-14H2,1-5H3/t15?,16-,19?/m1/s1.
What are the key properties of 2-[[(2R)-2-(2-ethylphenoxy)propyl]amino]-N-(2-hydroxyethyl)-N,3-dimethylpentanamide?
2-[[(2R)-2-(2-ethylphenoxy)propyl]amino]-N-(2-hydroxyethyl)-N,3-dimethylpentanamide has a molecular weight of 350.50 g/mol, XLogP of 2.47, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2-ethylphenoxy)propyl]amino]-N-(2-hydroxyethyl)-N,3-dimethylpentanamide is sourced from PubChem (CID 143168533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).