N-[2-[[3-(hydroxymethyl)quinolin-2-yl]amino]ethyl]-2,2-dimethylpropanamide

C17H23N3O2 — CID 71870948

IUPACN-[2-[[3-(hydroxymethyl)quinolin-2-yl]amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNc1nc2ccccc2cc1CO
InChIInChI=1S/C17H23N3O2/c1-17(2,3)16(22)19-9-8-18-15-13(11-21)10-12-6-4-5-7-14(12)20-15/h4-7,10,21H,8-9,11H2,1-3H3,(H,18,20)(H,19,22)
InChIKeyGFWSJSBBTNDLFQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.30
Rot. Bonds5

About N-[2-[[3-(hydroxymethyl)quinolin-2-yl]amino]ethyl]-2,2-dimethylpropanamide

N-[2-[[3-(hydroxymethyl)quinolin-2-yl]amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 71870948) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-[[3-(hydroxymethyl)quinolin-2-yl]amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[3-(hydroxymethyl)quinolin-2-yl]amino]ethyl]-2,2-dimethylpropanamide
PubChem CID71870948
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-[[3-(hydroxymethyl)quinolin-2-yl]amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNc1nc2ccccc2cc1CO
InChIInChI=1S/C17H23N3O2/c1-17(2,3)16(22)19-9-8-18-15-13(11-21)10-12-6-4-5-7-14(12)20-15/h4-7,10,21H,8-9,11H2,1-3H3,(H,18,20)(H,19,22)
InChIKeyGFWSJSBBTNDLFQ-UHFFFAOYSA-N
XLogP2.30
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.30
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

[2-[3-(2-methoxyethoxy)propylamino]quinolin-3-yl]methanol
CID 111469742
[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol
CID 133388292
2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide
CID 99792474
2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol
CID 133448200
[2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol
CID 133474779
N-ethyl-3-propylquinolin-2-amine
CID 63232591
(2-methylsulfanylquinolin-3-yl)methanol
CID 63835189
4-[3-[[3-(hydroxymethyl)quinolin-2-yl]amino]propyl]-1,4-benzoxazin-3-one
CID 133330607
2,2-dimethyl-N-[3-[methyl(naphthalen-2-yl)amino]-3-oxopropyl]propanamide
CID 134022464
N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide
CID 63228938
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
tert-butyl N-(acridin-4-ylmethyl)carbamate
CID 154037573

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(hydroxymethyl)quinolin-2-yl]amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[3-(hydroxymethyl)quinolin-2-yl]amino]ethyl]-2,2-dimethylpropanamide (CID 71870948) is N-[2-[[3-(hydroxymethyl)quinolin-2-yl]amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[3-(hydroxymethyl)quinolin-2-yl]amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[3-(hydroxymethyl)quinolin-2-yl]amino]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCNc1nc2ccccc2cc1CO.
What is the InChIKey of N-[2-[[3-(hydroxymethyl)quinolin-2-yl]amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is GFWSJSBBTNDLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,3)16(22)19-9-8-18-15-13(11-21)10-12-6-4-5-7-14(12)20-15/h4-7,10,21H,8-9,11H2,1-3H3,(H,18,20)(H,19,22).
What are the key properties of N-[2-[[3-(hydroxymethyl)quinolin-2-yl]amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[[3-(hydroxymethyl)quinolin-2-yl]amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 301.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(hydroxymethyl)quinolin-2-yl]amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 71870948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).