N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

C16H23N3O2 — CID 74236074

IUPACN-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESNCc1cccc(NC(=O)N2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C16H23N3O2/c17-11-13-4-3-5-14(10-13)18-15(20)19-8-9-21-16(12-19)6-1-2-7-16/h3-5,10H,1-2,6-9,11-12,17H2,(H,18,20)
InChIKeyDEEMZUUNZGQVSS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.32
Rot. Bonds2

About N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 74236074) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID74236074
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESNCc1cccc(NC(=O)N2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C16H23N3O2/c17-11-13-4-3-5-14(10-13)18-15(20)19-8-9-21-16(12-19)6-1-2-7-16/h3-5,10H,1-2,6-9,11-12,17H2,(H,18,20)
InChIKeyDEEMZUUNZGQVSS-UHFFFAOYSA-N
XLogP2.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 91646674
N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 81116359
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 71915921
N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide
CID 43133032
(5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 99822435
N-[(3-nitrophenyl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 71916006
N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
CID 71801658
N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
CID 61421947
(1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
CID 74243413
N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 155596985
N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide
CID 43592491
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (CID 74236074) is N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is NCc1cccc(NC(=O)N2CCOC3(CCCC3)C2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is DEEMZUUNZGQVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-11-13-4-3-5-14(10-13)18-15(20)19-8-9-21-16(12-19)6-1-2-7-16/h3-5,10H,1-2,6-9,11-12,17H2,(H,18,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 74236074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).