N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-6-azaspiro[2.6]nonane-6-carboxamide

C19H26N4O3 — CID 126836558

IUPACN-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-6-azaspiro[2.6]nonane-6-carboxamide
SMILESCN(CC(N)=O)C(=O)c1cccc(NC(=O)N2CCCC3(CC2)CC3)c1
InChIInChI=1S/C19H26N4O3/c1-22(13-16(20)24)17(25)14-4-2-5-15(12-14)21-18(26)23-10-3-6-19(7-8-19)9-11-23/h2,4-5,12H,3,6-11,13H2,1H3,(H2,20,24)(H,21,26)
InChIKeyOFYTZTLIQHSKEP-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.04
Rot. Bonds4

About N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-6-azaspiro[2.6]nonane-6-carboxamide

N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-6-azaspiro[2.6]nonane-6-carboxamide (PubChem CID 126836558) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-6-azaspiro[2.6]nonane-6-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-6-azaspiro[2.6]nonane-6-carboxamide
PubChem CID126836558
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-6-azaspiro[2.6]nonane-6-carboxamide
SMILESCN(CC(N)=O)C(=O)c1cccc(NC(=O)N2CCCC3(CC2)CC3)c1
InChIInChI=1S/C19H26N4O3/c1-22(13-16(20)24)17(25)14-4-2-5-15(12-14)21-18(26)23-10-3-6-19(7-8-19)9-11-23/h2,4-5,12H,3,6-11,13H2,1H3,(H2,20,24)(H,21,26)
InChIKeyOFYTZTLIQHSKEP-UHFFFAOYSA-N
XLogP2.04
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62734496
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N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide
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(4R)-4-[(dimethylamino)methyl]-4-hydroxy-N-(3-methoxyphenyl)azepane-1-carboxamide
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CID 97283744
N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide
CID 55156325
N-[3-[[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydroiodide
CID 111745325
N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 146087147
N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 81116359
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride
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N-[3-[ethyl(methyl)carbamoyl]phenyl]-4-(3-methoxy-4-pyridinyl)piperazine-1-carboxamide
CID 136542763

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-6-azaspiro[2.6]nonane-6-carboxamide?
The IUPAC name of N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-6-azaspiro[2.6]nonane-6-carboxamide (CID 126836558) is N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-6-azaspiro[2.6]nonane-6-carboxamide.
What is the SMILES notation for N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-6-azaspiro[2.6]nonane-6-carboxamide?
The canonical SMILES for N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-6-azaspiro[2.6]nonane-6-carboxamide is CN(CC(N)=O)C(=O)c1cccc(NC(=O)N2CCCC3(CC2)CC3)c1.
What is the InChIKey of N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-6-azaspiro[2.6]nonane-6-carboxamide?
The InChIKey is OFYTZTLIQHSKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-22(13-16(20)24)17(25)14-4-2-5-15(12-14)21-18(26)23-10-3-6-19(7-8-19)9-11-23/h2,4-5,12H,3,6-11,13H2,1H3,(H2,20,24)(H,21,26).
What are the key properties of N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-6-azaspiro[2.6]nonane-6-carboxamide?
N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-6-azaspiro[2.6]nonane-6-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-6-azaspiro[2.6]nonane-6-carboxamide is sourced from PubChem (CID 126836558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).