N-[2-[[4-(dimethylamino)phenyl]methyl]-3-hydroxypropyl]acetamide

C14H22N2O2 — CID 82350210

IUPACN-[2-[[4-(dimethylamino)phenyl]methyl]-3-hydroxypropyl]acetamide
SMILESCC(=O)NCC(CO)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-11(18)15-9-13(10-17)8-12-4-6-14(7-5-12)16(2)3/h4-7,13,17H,8-10H2,1-3H3,(H,15,18)
InChIKeyRPVQDQLLIACUKR-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.04
Rot. Bonds6

About N-[2-[[4-(dimethylamino)phenyl]methyl]-3-hydroxypropyl]acetamide

N-[2-[[4-(dimethylamino)phenyl]methyl]-3-hydroxypropyl]acetamide (PubChem CID 82350210) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)phenyl]methyl]-3-hydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)phenyl]methyl]-3-hydroxypropyl]acetamide
PubChem CID82350210
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-[[4-(dimethylamino)phenyl]methyl]-3-hydroxypropyl]acetamide
SMILESCC(=O)NCC(CO)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-11(18)15-9-13(10-17)8-12-4-6-14(7-5-12)16(2)3/h4-7,13,17H,8-10H2,1-3H3,(H,15,18)
InChIKeyRPVQDQLLIACUKR-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide
CID 82350206
N-[2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 82350242
2-[[4-(dimethylamino)phenyl]methyl]propanedioic acid
CID 15120645
3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide
CID 20684753
3-[4-(dimethylamino)phenyl]-2-(methylamino)propanoic acid
CID 69460954
tert-butyl N-[2-[(4-tert-butylphenyl)methyl]-3-hydroxypropyl]carbamate
CID 106508886
2-cyclopropyl-3-[4-(dimethylamino)phenyl]propanoic acid
CID 170903926
N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide
CID 9159203
(2R)-2-(acetylsulfanylmethyl)-3-[4-(dimethylamino)phenyl]propanoic acid
CID 129363581
(2R)-2-(aminomethyl)-3-[4-(dimethylamino)phenyl]propanoic acid
CID 42079765
N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
CID 61251310
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]acetamide
CID 7496841

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)phenyl]methyl]-3-hydroxypropyl]acetamide?
The IUPAC name of N-[2-[[4-(dimethylamino)phenyl]methyl]-3-hydroxypropyl]acetamide (CID 82350210) is N-[2-[[4-(dimethylamino)phenyl]methyl]-3-hydroxypropyl]acetamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)phenyl]methyl]-3-hydroxypropyl]acetamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)phenyl]methyl]-3-hydroxypropyl]acetamide is CC(=O)NCC(CO)Cc1ccc(N(C)C)cc1.
What is the InChIKey of N-[2-[[4-(dimethylamino)phenyl]methyl]-3-hydroxypropyl]acetamide?
The InChIKey is RPVQDQLLIACUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(18)15-9-13(10-17)8-12-4-6-14(7-5-12)16(2)3/h4-7,13,17H,8-10H2,1-3H3,(H,15,18).
What are the key properties of N-[2-[[4-(dimethylamino)phenyl]methyl]-3-hydroxypropyl]acetamide?
N-[2-[[4-(dimethylamino)phenyl]methyl]-3-hydroxypropyl]acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)phenyl]methyl]-3-hydroxypropyl]acetamide is sourced from PubChem (CID 82350210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).