N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide

C12H18N2O2 — CID 115318936

IUPACN-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide
SMILESCN(CCCN)C(=O)C(O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-14(9-5-8-13)12(16)11(15)10-6-3-2-4-7-10/h2-4,6-7,11,15H,5,8-9,13H2,1H3
InChIKeyNKTUEAWOYIMTBR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.53
Rot. Bonds5

About N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide

N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide (PubChem CID 115318936) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide
PubChem CID115318936
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide
SMILESCN(CCCN)C(=O)C(O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-14(9-5-8-13)12(16)11(15)10-6-3-2-4-7-10/h2-4,6-7,11,15H,5,8-9,13H2,1H3
InChIKeyNKTUEAWOYIMTBR-UHFFFAOYSA-N
XLogP0.53
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
CID 60989999
acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide
CID 67863072
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367
2-hydroxy-2-phenyl-N,N-dipropylacetamide
CID 54160997
N-methyl-N-pentyl-2-phenylpropanamide
CID 90809964
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid
CID 60832767
1-[N-(3-aminopropyl)anilino]propan-2-ol
CID 65277240
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
CID 110879948
3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide
CID 107199250
N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide
CID 111695707

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide (CID 115318936) is N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide is CN(CCCN)C(=O)C(O)c1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide?
The InChIKey is NKTUEAWOYIMTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14(9-5-8-13)12(16)11(15)10-6-3-2-4-7-10/h2-4,6-7,11,15H,5,8-9,13H2,1H3.
What are the key properties of N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide?
N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide has a molecular weight of 222.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide is sourced from PubChem (CID 115318936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).