2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide

C20H25N3O3 — CID 135108891

IUPAC2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide
SMILESCC(C)C(=O)NCC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C20H25N3O3/c1-13(2)20(25)22-10-19(24)23-18-12-26-11-15(18)9-14-7-8-21-17-6-4-3-5-16(14)17/h3-8,13,15,18H,9-12H2,1-2H3,(H,22,25)(H,23,24)/t15-,18-/m1/s1
InChIKeyDNWLDUFUZZGNDD-CRAIPNDOSA-N
MW355.44 g/mol
LogP1.68
Rot. Bonds6

About 2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide

2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide (PubChem CID 135108891) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide
PubChem CID135108891
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide
SMILESCC(C)C(=O)NCC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C20H25N3O3/c1-13(2)20(25)22-10-19(24)23-18-12-26-11-15(18)9-14-7-8-21-17-6-4-3-5-16(14)17/h3-8,13,15,18H,9-12H2,1-2H3,(H,22,25)(H,23,24)/t15-,18-/m1/s1
InChIKeyDNWLDUFUZZGNDD-CRAIPNDOSA-N
XLogP1.68
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide (CID 135108891) is 2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide is CC(C)C(=O)NCC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide?
The InChIKey is DNWLDUFUZZGNDD-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13(2)20(25)22-10-19(24)23-18-12-26-11-15(18)9-14-7-8-21-17-6-4-3-5-16(14)17/h3-8,13,15,18H,9-12H2,1-2H3,(H,22,25)(H,23,24)/t15-,18-/m1/s1.
What are the key properties of 2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide?
2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide is sourced from PubChem (CID 135108891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).