N-[4-[(2-methoxyacetyl)amino]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide

C16H21N3O3 — CID 167891823

IUPACN-[4-[(2-methoxyacetyl)amino]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)C2CC23CCNC3)cc1
InChIInChI=1S/C16H21N3O3/c1-22-9-14(20)18-11-2-4-12(5-3-11)19-15(21)13-8-16(13)6-7-17-10-16/h2-5,13,17H,6-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyJKGNDOCGSQFSEP-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.21
Rot. Bonds5

About N-[4-[(2-methoxyacetyl)amino]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide

N-[4-[(2-methoxyacetyl)amino]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 167891823) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[4-[(2-methoxyacetyl)amino]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-methoxyacetyl)amino]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID167891823
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[4-[(2-methoxyacetyl)amino]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)C2CC23CCNC3)cc1
InChIInChI=1S/C16H21N3O3/c1-22-9-14(20)18-11-2-4-12(5-3-11)19-15(21)13-8-16(13)6-7-17-10-16/h2-5,13,17H,6-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyJKGNDOCGSQFSEP-UHFFFAOYSA-N
XLogP1.21
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3,3-dimethylcyclopentyl)amino]phenyl]-2-methoxyacetamide
CID 80705549
N-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide
CID 3967307
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride
CID 154912274
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide
CID 43708166
N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide
CID 56689692
2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid
CID 122108484
(2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 124701403
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
N-(4-hydrazinylphenyl)-2-methoxyacetamide
CID 141361616
2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120835324
[2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate
CID 170392422
N-[4-(cyclopentylamino)phenyl]-2-methoxyacetamide
CID 43717401

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyacetyl)amino]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-[4-[(2-methoxyacetyl)amino]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide (CID 167891823) is N-[4-[(2-methoxyacetyl)amino]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-[4-[(2-methoxyacetyl)amino]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-[4-[(2-methoxyacetyl)amino]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide is COCC(=O)Nc1ccc(NC(=O)C2CC23CCNC3)cc1.
What is the InChIKey of N-[4-[(2-methoxyacetyl)amino]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is JKGNDOCGSQFSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-22-9-14(20)18-11-2-4-12(5-3-11)19-15(21)13-8-16(13)6-7-17-10-16/h2-5,13,17H,6-10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-[(2-methoxyacetyl)amino]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide?
N-[4-[(2-methoxyacetyl)amino]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyacetyl)amino]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 167891823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).