2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide

C25H29N3O2 — CID 135097661

IUPAC2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESCc1ccc(CN(C)CC(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)cc1
InChIInChI=1S/C25H29N3O2/c1-18-7-9-19(10-8-18)14-28(2)15-25(29)27-24-17-30-16-21(24)13-20-11-12-26-23-6-4-3-5-22(20)23/h3-12,21,24H,13-17H2,1-2H3,(H,27,29)/t21-,24+/m1/s1
InChIKeyXWALEYXXMOWZDW-QPPBQGQZSA-N
MW403.53 g/mol
LogP3.35
Rot. Bonds7

About 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide

2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide (PubChem CID 135097661) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
PubChem CID135097661
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESCc1ccc(CN(C)CC(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)cc1
InChIInChI=1S/C25H29N3O2/c1-18-7-9-19(10-8-18)14-28(2)15-25(29)27-24-17-30-16-21(24)13-20-11-12-26-23-6-4-3-5-22(20)23/h3-12,21,24H,13-17H2,1-2H3,(H,27,29)/t21-,24+/m1/s1
InChIKeyXWALEYXXMOWZDW-QPPBQGQZSA-N
XLogP3.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide with MolForge

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Related Compounds

2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide
CID 135108891
2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135098225
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 135102279
3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135107135
3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134701669
5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide
CID 155917194
1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide
CID 135089561
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135104245
N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide
CID 134703831
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide
CID 134705202
3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide
CID 134711744
N'-(3-ethylphenyl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]butanediamide
CID 134710720

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide?
The IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide (CID 135097661) is 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide is Cc1ccc(CN(C)CC(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)cc1.
What is the InChIKey of 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide?
The InChIKey is XWALEYXXMOWZDW-QPPBQGQZSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-18-7-9-19(10-8-18)14-28(2)15-25(29)27-24-17-30-16-21(24)13-20-11-12-26-23-6-4-3-5-22(20)23/h3-12,21,24H,13-17H2,1-2H3,(H,27,29)/t21-,24+/m1/s1.
What are the key properties of 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide?
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide has a molecular weight of 403.53 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 135097661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).