N-(2-hydroxyethyl)-2-methyl-N-quinolin-2-ylbutanamide

C16H20N2O2 — CID 177171371

IUPACN-(2-hydroxyethyl)-2-methyl-N-quinolin-2-ylbutanamide
SMILESCCC(C)C(=O)N(CCO)c1ccc2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-3-12(2)16(20)18(10-11-19)15-9-8-13-6-4-5-7-14(13)17-15/h4-9,12,19H,3,10-11H2,1-2H3
InChIKeyURNRGPGVAVXDSF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.61
Rot. Bonds5

About N-(2-hydroxyethyl)-2-methyl-N-quinolin-2-ylbutanamide

N-(2-hydroxyethyl)-2-methyl-N-quinolin-2-ylbutanamide (PubChem CID 177171371) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-N-quinolin-2-ylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-N-quinolin-2-ylbutanamide
PubChem CID177171371
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(2-hydroxyethyl)-2-methyl-N-quinolin-2-ylbutanamide
SMILESCCC(C)C(=O)N(CCO)c1ccc2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-3-12(2)16(20)18(10-11-19)15-9-8-13-6-4-5-7-14(13)17-15/h4-9,12,19H,3,10-11H2,1-2H3
InChIKeyURNRGPGVAVXDSF-UHFFFAOYSA-N
XLogP2.61
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[pentan-3-yl(quinolin-2-ylmethyl)amino]ethanol
CID 62016642
methyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate
CID 62005546
2-[ethyl(quinolin-2-yl)amino]-2-methylpropanoic acid
CID 62818559
N-methyl-N-(3-methylbutyl)quinolin-2-amine
CID 175306450
N-(2-bromopropyl)-N-methylquinoline-2-carboxamide
CID 80665612
3-N-methyl-3-N-quinolin-2-ylbutane-1,3-diamine
CID 63225623
methyl 2-[[(2R)-2-methylbutanoyl]-(6-methyl-2-pyridinyl)amino]acetate
CID 95771684
N-(2-chlorobutyl)quinoline-2-carboxamide
CID 113492870
N,N-dibutylquinolin-2-amine
CID 125488581
4-[methyl(quinolin-2-yl)amino]butanoic acid
CID 43329714
N-(3-hydroxypropyl)-N-methylquinoline-2-carboxamide
CID 114230507
N-ethyl-N-methylquinoline-2-carboxamide
CID 19793658

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-quinolin-2-ylbutanamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-quinolin-2-ylbutanamide (CID 177171371) is N-(2-hydroxyethyl)-2-methyl-N-quinolin-2-ylbutanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-N-quinolin-2-ylbutanamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-N-quinolin-2-ylbutanamide is CCC(C)C(=O)N(CCO)c1ccc2ccccc2n1.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-N-quinolin-2-ylbutanamide?
The InChIKey is URNRGPGVAVXDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-12(2)16(20)18(10-11-19)15-9-8-13-6-4-5-7-14(13)17-15/h4-9,12,19H,3,10-11H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2-methyl-N-quinolin-2-ylbutanamide?
N-(2-hydroxyethyl)-2-methyl-N-quinolin-2-ylbutanamide has a molecular weight of 272.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-N-quinolin-2-ylbutanamide is sourced from PubChem (CID 177171371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).