(2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide

C25H33N3O4 — CID 97342418

IUPAC(2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide
SMILESCCc1cc(NC(=O)[C@@H](C)OCC2CC2)c2cc(NC(=O)[C@@H](C)OCC3CC3)ccc2n1
InChIInChI=1S/C25H33N3O4/c1-4-19-12-23(28-25(30)16(3)32-14-18-7-8-18)21-11-20(9-10-22(21)26-19)27-24(29)15(2)31-13-17-5-6-17/h9-12,15-18H,4-8,13-14H2,1-3H3,(H,27,29)(H,26,28,30)/t15-,16-/m1/s1
InChIKeyMAGUFTHQZGKGTF-HZPDHXFCSA-N
MW439.56 g/mol
LogP4.30
Rot. Bonds11

About (2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide

(2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide (PubChem CID 97342418) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is (2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide
PubChem CID97342418
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name(2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide
SMILESCCc1cc(NC(=O)[C@@H](C)OCC2CC2)c2cc(NC(=O)[C@@H](C)OCC3CC3)ccc2n1
InChIInChI=1S/C25H33N3O4/c1-4-19-12-23(28-25(30)16(3)32-14-18-7-8-18)21-11-20(9-10-22(21)26-19)27-24(29)15(2)31-13-17-5-6-17/h9-12,15-18H,4-8,13-14H2,1-3H3,(H,27,29)(H,26,28,30)/t15-,16-/m1/s1
InChIKeyMAGUFTHQZGKGTF-HZPDHXFCSA-N
XLogP4.30
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide with MolForge

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Related Compounds

N-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide
CID 48521300
2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
CID 47079469
(2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide
CID 99776072
3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide
CID 95383219
3-[[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide
CID 95383218
4-[2-(cyclopropylmethoxy)propanoylamino]-N-methylbenzamide
CID 47422905
N-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide
CID 86847260
5-[2-(cyclopropylmethoxy)propanoylamino]-2-fluoro-N-methylbenzamide
CID 49176640
2-(cyclopropylmethoxy)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 86846916
N-(4-amino-2-methoxyphenyl)-2-(cyclopentylmethoxy)propanamide
CID 66323873
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide
CID 48500260
2-(cyclopropylmethoxy)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 48530161

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide?
The IUPAC name of (2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide (CID 97342418) is (2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide.
What is the SMILES notation for (2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide?
The canonical SMILES for (2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide is CCc1cc(NC(=O)[C@@H](C)OCC2CC2)c2cc(NC(=O)[C@@H](C)OCC3CC3)ccc2n1.
What is the InChIKey of (2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide?
The InChIKey is MAGUFTHQZGKGTF-HZPDHXFCSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-4-19-12-23(28-25(30)16(3)32-14-18-7-8-18)21-11-20(9-10-22(21)26-19)27-24(29)15(2)31-13-17-5-6-17/h9-12,15-18H,4-8,13-14H2,1-3H3,(H,27,29)(H,26,28,30)/t15-,16-/m1/s1.
What are the key properties of (2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide?
(2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide has a molecular weight of 439.56 g/mol, XLogP of 4.30, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide is sourced from PubChem (CID 97342418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).