(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide

C19H25N3O3 — CID 95348639

IUPAC(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide
SMILESC[C@H](OC[C@@H]1CCCO1)C(=O)NCCNc1ccc2ccccc2n1
InChIInChI=1S/C19H25N3O3/c1-14(25-13-16-6-4-12-24-16)19(23)21-11-10-20-18-9-8-15-5-2-3-7-17(15)22-18/h2-3,5,7-9,14,16H,4,6,10-13H2,1H3,(H,20,22)(H,21,23)/t14-,16-/m0/s1
InChIKeyXKDMNAAAMCNFQD-HOCLYGCPSA-N
MW343.43 g/mol
LogP2.35
Rot. Bonds8

About (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide

(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide (PubChem CID 95348639) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide
PubChem CID95348639
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide
SMILESC[C@H](OC[C@@H]1CCCO1)C(=O)NCCNc1ccc2ccccc2n1
InChIInChI=1S/C19H25N3O3/c1-14(25-13-16-6-4-12-24-16)19(23)21-11-10-20-18-9-8-15-5-2-3-7-17(15)22-18/h2-3,5,7-9,14,16H,4,6,10-13H2,1H3,(H,20,22)(H,21,23)/t14-,16-/m0/s1
InChIKeyXKDMNAAAMCNFQD-HOCLYGCPSA-N
XLogP2.35
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide 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

(2R)-N-naphthalen-2-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269930
(2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 94813622
N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 119548783
(2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95150032
3-[2-(oxan-2-ylmethoxy)propanoylamino]-2-phenylpropanoic acid
CID 119254705
2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 126837098
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133
(2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 94391895
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide
CID 100842096
2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255918
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide?
The IUPAC name of (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide (CID 95348639) is (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide.
What is the SMILES notation for (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide?
The canonical SMILES for (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide is C[C@H](OC[C@@H]1CCCO1)C(=O)NCCNc1ccc2ccccc2n1.
What is the InChIKey of (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide?
The InChIKey is XKDMNAAAMCNFQD-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(25-13-16-6-4-12-24-16)19(23)21-11-10-20-18-9-8-15-5-2-3-7-17(15)22-18/h2-3,5,7-9,14,16H,4,6,10-13H2,1H3,(H,20,22)(H,21,23)/t14-,16-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide?
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 95348639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).