3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide

C14H22N2O2 — CID 62375011

IUPAC3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCC(C)(O)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(18,12-7-5-4-6-8-12)11-15-10-9-13(17)16(2)3/h4-8,15,18H,9-11H2,1-3H3
InChIKeyAPNXDWIFTWCIRG-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.96
Rot. Bonds6

About 3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide

3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide (PubChem CID 62375011) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide
PubChem CID62375011
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCC(C)(O)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(18,12-7-5-4-6-8-12)11-15-10-9-13(17)16(2)3/h4-8,15,18H,9-11H2,1-3H3
InChIKeyAPNXDWIFTWCIRG-UHFFFAOYSA-N
XLogP0.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide
CID 54886707
3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea
CID 83120713
N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide
CID 113288141
1-(2-aminoethylamino)-2-phenylpropan-2-ol
CID 62374351
3-anilino-N,N-dimethylpropanamide
CID 60961994
3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide
CID 106293108
3-(4-tert-butylanilino)-N,N-dimethylpropanamide
CID 54879290
3-[(2-hydroxy-2-phenylpropyl)-methylamino]propanoic acid
CID 62373211
4-[[3-(dimethylamino)-3-oxopropyl]amino]benzoic acid
CID 62230699
2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid
CID 79809198
1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea
CID 111335704
1-(7-methyloctylamino)-2-phenylpropan-2-ol
CID 107815064

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide (CID 62375011) is 3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNCC(C)(O)c1ccccc1.
What is the InChIKey of 3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide?
The InChIKey is APNXDWIFTWCIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(18,12-7-5-4-6-8-12)11-15-10-9-13(17)16(2)3/h4-8,15,18H,9-11H2,1-3H3.
What are the key properties of 3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide?
3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 62375011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).