3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide

C16H26N2O2 — CID 120654017

IUPAC3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C16H26N2O2/c1-5-17-14(4)11-18-16(19)6-7-20-15-9-12(2)8-13(3)10-15/h8-10,14,17H,5-7,11H2,1-4H3,(H,18,19)/t14-/m1/s1
InChIKeyPQCXZGHTLGWVHM-CQSZACIVSA-N
MW278.40 g/mol
LogP2.19
Rot. Bonds8

About 3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide

3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide (PubChem CID 120654017) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide
PubChem CID120654017
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C16H26N2O2/c1-5-17-14(4)11-18-16(19)6-7-20-15-9-12(2)8-13(3)10-15/h8-10,14,17H,5-7,11H2,1-4H3,(H,18,19)/t14-/m1/s1
InChIKeyPQCXZGHTLGWVHM-CQSZACIVSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide
CID 43418206
N-[(2R)-2-(ethylamino)propyl]-3-(4-propan-2-ylphenoxy)propanamide
CID 120654775
3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119507967
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
CID 120651118
4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650627
N-[(2R)-2-(ethylamino)propyl]-3-propan-2-yloxypropanamide
CID 120655011
3-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120651359
4-(4-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653275
N-[(2R)-2-(ethylamino)propyl]-3-(2-fluorophenoxy)propanamide
CID 120650525
ethyl 2-[3-(3,5-dimethylphenoxy)propanoylamino]propanoate
CID 61344778
4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120654445
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide (CID 120654017) is 3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide is CCN[C@H](C)CNC(=O)CCOc1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The InChIKey is PQCXZGHTLGWVHM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-17-14(4)11-18-16(19)6-7-20-15-9-12(2)8-13(3)10-15/h8-10,14,17H,5-7,11H2,1-4H3,(H,18,19)/t14-/m1/s1.
What are the key properties of 3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide?
3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide is sourced from PubChem (CID 120654017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).