2-hydroxy-3-[methyl(3-phenoxypropyl)amino]-2-phenylpropanamide

C19H24N2O3 — CID 122154557

IUPAC2-hydroxy-3-[methyl(3-phenoxypropyl)amino]-2-phenylpropanamide
SMILESCN(CCCOc1ccccc1)CC(O)(C(N)=O)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-21(13-8-14-24-17-11-6-3-7-12-17)15-19(23,18(20)22)16-9-4-2-5-10-16/h2-7,9-12,23H,8,13-15H2,1H3,(H2,20,22)
InChIKeyCHRGWYPYPDEROG-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.76
Rot. Bonds9

About 2-hydroxy-3-[methyl(3-phenoxypropyl)amino]-2-phenylpropanamide

2-hydroxy-3-[methyl(3-phenoxypropyl)amino]-2-phenylpropanamide (PubChem CID 122154557) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-hydroxy-3-[methyl(3-phenoxypropyl)amino]-2-phenylpropanamide.

Molecular Properties

Compound Name2-hydroxy-3-[methyl(3-phenoxypropyl)amino]-2-phenylpropanamide
PubChem CID122154557
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-hydroxy-3-[methyl(3-phenoxypropyl)amino]-2-phenylpropanamide
SMILESCN(CCCOc1ccccc1)CC(O)(C(N)=O)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-21(13-8-14-24-17-11-6-3-7-12-17)15-19(23,18(20)22)16-9-4-2-5-10-16/h2-7,9-12,23H,8,13-15H2,1H3,(H2,20,22)
InChIKeyCHRGWYPYPDEROG-UHFFFAOYSA-N
XLogP1.76
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767
2-[methyl(3-phenoxypropyl)amino]ethanethioamide
CID 62936274
3-[methyl-[3-(4-phenoxyphenoxy)propyl]amino]propanoic acid
CID 11823669
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid
CID 62820736
4-[3-[benzyl(methyl)amino]propoxy]benzoic acid
CID 20991269
[5-[[methyl(3-phenoxypropyl)amino]methyl]-1,2-oxazol-3-yl]-diphenylmethanol
CID 146712664
[1-methyl-5-[[methyl(3-phenoxypropyl)amino]methyl]imidazol-2-yl]-diphenylmethanol
CID 143632867
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
2,2,2-trifluoroethyl N-methyl-N-(3-phenoxypropyl)carbamate
CID 65168993
(2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide
CID 61162984
3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
CID 87013054

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[methyl(3-phenoxypropyl)amino]-2-phenylpropanamide?
The IUPAC name of 2-hydroxy-3-[methyl(3-phenoxypropyl)amino]-2-phenylpropanamide (CID 122154557) is 2-hydroxy-3-[methyl(3-phenoxypropyl)amino]-2-phenylpropanamide.
What is the SMILES notation for 2-hydroxy-3-[methyl(3-phenoxypropyl)amino]-2-phenylpropanamide?
The canonical SMILES for 2-hydroxy-3-[methyl(3-phenoxypropyl)amino]-2-phenylpropanamide is CN(CCCOc1ccccc1)CC(O)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-hydroxy-3-[methyl(3-phenoxypropyl)amino]-2-phenylpropanamide?
The InChIKey is CHRGWYPYPDEROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-21(13-8-14-24-17-11-6-3-7-12-17)15-19(23,18(20)22)16-9-4-2-5-10-16/h2-7,9-12,23H,8,13-15H2,1H3,(H2,20,22).
What are the key properties of 2-hydroxy-3-[methyl(3-phenoxypropyl)amino]-2-phenylpropanamide?
2-hydroxy-3-[methyl(3-phenoxypropyl)amino]-2-phenylpropanamide has a molecular weight of 328.41 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[methyl(3-phenoxypropyl)amino]-2-phenylpropanamide is sourced from PubChem (CID 122154557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).