N-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide

C16H26N2O3 — CID 2561444

IUPACN-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNC[C@@H](O)COc1ccccc1C(C)C
InChIInChI=1S/C16H26N2O3/c1-12(2)15-6-4-5-7-16(15)21-11-14(20)10-17-8-9-18-13(3)19/h4-7,12,14,17,20H,8-11H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyCFMFMJXYYKQHIS-CQSZACIVSA-N
MW294.39 g/mol
LogP1.28
Rot. Bonds9

About N-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide

N-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide (PubChem CID 2561444) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide
PubChem CID2561444
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNC[C@@H](O)COc1ccccc1C(C)C
InChIInChI=1S/C16H26N2O3/c1-12(2)15-6-4-5-7-16(15)21-11-14(20)10-17-8-9-18-13(3)19/h4-7,12,14,17,20H,8-11H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyCFMFMJXYYKQHIS-CQSZACIVSA-N
XLogP1.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 39366264
1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 71651455
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea
CID 83121783
N-[2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]ethyl]acetamide
CID 60632295
N-[2-[[2-hydroxy-3-(2-nitrophenoxy)propyl]amino]ethyl]-2,2-dimethylpropanamide
CID 13030882
1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4799215
1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
CID 18593413
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103771540
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 13030875
1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138960352

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide (CID 2561444) is N-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide is CC(=O)NCCNC[C@@H](O)COc1ccccc1C(C)C.
What is the InChIKey of N-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide?
The InChIKey is CFMFMJXYYKQHIS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)15-6-4-5-7-16(15)21-11-14(20)10-17-8-9-18-13(3)19/h4-7,12,14,17,20H,8-11H2,1-3H3,(H,18,19)/t14-/m1/s1.
What are the key properties of N-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide?
N-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide has a molecular weight of 294.39 g/mol, XLogP of 1.28, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide is sourced from PubChem (CID 2561444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).