N-[2-methoxy-5-[[[(3S)-spiro[3.4]octan-3-yl]amino]methyl]phenyl]acetamide

C18H26N2O2 — CID 100690841

IUPACN-[2-methoxy-5-[[[(3S)-spiro[3.4]octan-3-yl]amino]methyl]phenyl]acetamide
SMILESCOc1ccc(CN[C@H]2CCC23CCCC3)cc1NC(C)=O
InChIInChI=1S/C18H26N2O2/c1-13(21)20-15-11-14(5-6-16(15)22-2)12-19-17-7-10-18(17)8-3-4-9-18/h5-6,11,17,19H,3-4,7-10,12H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyGZIDLVHUQNGKJY-KRWDZBQOSA-N
MW302.42 g/mol
LogP3.47
Rot. Bonds5

About N-[2-methoxy-5-[[[(3S)-spiro[3.4]octan-3-yl]amino]methyl]phenyl]acetamide

N-[2-methoxy-5-[[[(3S)-spiro[3.4]octan-3-yl]amino]methyl]phenyl]acetamide (PubChem CID 100690841) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-methoxy-5-[[[(3S)-spiro[3.4]octan-3-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[[[(3S)-spiro[3.4]octan-3-yl]amino]methyl]phenyl]acetamide
PubChem CID100690841
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[2-methoxy-5-[[[(3S)-spiro[3.4]octan-3-yl]amino]methyl]phenyl]acetamide
SMILESCOc1ccc(CN[C@H]2CCC23CCCC3)cc1NC(C)=O
InChIInChI=1S/C18H26N2O2/c1-13(21)20-15-11-14(5-6-16(15)22-2)12-19-17-7-10-18(17)8-3-4-9-18/h5-6,11,17,19H,3-4,7-10,12H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyGZIDLVHUQNGKJY-KRWDZBQOSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide
CID 99626257
N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide
CID 98015785
N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide
CID 110783895
N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide
CID 110775274
N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794394
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide
CID 13465084
N-[2-methoxy-5-[[[N'-methyl-N-(4-methylcyclohexyl)carbamimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 111255548
N-[5-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-2-methoxyphenyl]acetamide
CID 84594653
2-[(3,4-dimethoxyphenyl)methyl]-1-spiro[3.4]octan-3-ylguanidine
CID 120514402
N-(5-iodo-2-methoxyphenyl)acetamide
CID 11737859
N-(5-ethyl-2-methoxyphenyl)cyclopropanecarboxamide
CID 110777232
[2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol
CID 111468980

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[[[(3S)-spiro[3.4]octan-3-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[[[(3S)-spiro[3.4]octan-3-yl]amino]methyl]phenyl]acetamide (CID 100690841) is N-[2-methoxy-5-[[[(3S)-spiro[3.4]octan-3-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[[[(3S)-spiro[3.4]octan-3-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[[[(3S)-spiro[3.4]octan-3-yl]amino]methyl]phenyl]acetamide is COc1ccc(CN[C@H]2CCC23CCCC3)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[[[(3S)-spiro[3.4]octan-3-yl]amino]methyl]phenyl]acetamide?
The InChIKey is GZIDLVHUQNGKJY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(21)20-15-11-14(5-6-16(15)22-2)12-19-17-7-10-18(17)8-3-4-9-18/h5-6,11,17,19H,3-4,7-10,12H2,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of N-[2-methoxy-5-[[[(3S)-spiro[3.4]octan-3-yl]amino]methyl]phenyl]acetamide?
N-[2-methoxy-5-[[[(3S)-spiro[3.4]octan-3-yl]amino]methyl]phenyl]acetamide has a molecular weight of 302.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[[[(3S)-spiro[3.4]octan-3-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 100690841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).