3,4-dimethyl-N-[1-[(3-methyl-1,2-oxazol-4-yl)methylamino]spiro[3.3]heptan-3-yl]cyclohexane-1-carboxamide

C21H33N3O2 — CID 154855808

IUPAC3,4-dimethyl-N-[1-[(3-methyl-1,2-oxazol-4-yl)methylamino]spiro[3.3]heptan-3-yl]cyclohexane-1-carboxamide
SMILESCc1nocc1CNC1CC(NC(=O)C2CCC(C)C(C)C2)C12CCC2
InChIInChI=1S/C21H33N3O2/c1-13-5-6-16(9-14(13)2)20(25)23-19-10-18(21(19)7-4-8-21)22-11-17-12-26-24-15(17)3/h12-14,16,18-19,22H,4-11H2,1-3H3,(H,23,25)
InChIKeyXTTIPSRPOIBZNA-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.57
Rot. Bonds5

About 3,4-dimethyl-N-[1-[(3-methyl-1,2-oxazol-4-yl)methylamino]spiro[3.3]heptan-3-yl]cyclohexane-1-carboxamide

3,4-dimethyl-N-[1-[(3-methyl-1,2-oxazol-4-yl)methylamino]spiro[3.3]heptan-3-yl]cyclohexane-1-carboxamide (PubChem CID 154855808) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 3,4-dimethyl-N-[1-[(3-methyl-1,2-oxazol-4-yl)methylamino]spiro[3.3]heptan-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[1-[(3-methyl-1,2-oxazol-4-yl)methylamino]spiro[3.3]heptan-3-yl]cyclohexane-1-carboxamide
PubChem CID154855808
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name3,4-dimethyl-N-[1-[(3-methyl-1,2-oxazol-4-yl)methylamino]spiro[3.3]heptan-3-yl]cyclohexane-1-carboxamide
SMILESCc1nocc1CNC1CC(NC(=O)C2CCC(C)C(C)C2)C12CCC2
InChIInChI=1S/C21H33N3O2/c1-13-5-6-16(9-14(13)2)20(25)23-19-10-18(21(19)7-4-8-21)22-11-17-12-26-24-15(17)3/h12-14,16,18-19,22H,4-11H2,1-3H3,(H,23,25)
InChIKeyXTTIPSRPOIBZNA-UHFFFAOYSA-N
XLogP3.57
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethyl-N-[1-[(3-methyl-1,2-oxazol-4-yl)methylamino]spiro[3.3]heptan-3-yl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[(3-methyl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 130987515
2-fluoro-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]propanamide
CID 131000688
(1S,2S,4R,5R)-4-[[2-(3-methyl-1,2-oxazol-4-yl)acetyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid
CID 154868403
1-benzyl-3-[(3-methyl-1,2-oxazol-4-yl)methyl]urea
CID 131227713
cis-(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092556
3-(2,6-dichlorophenyl)-N-[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 99810940
3-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 79236689
N-[(3-methyl-1,2-oxazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
CID 138011518
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)propan-2-one
CID 159533286
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 63042988
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylcyclohexyl)acetamide
CID 47161510
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide
CID 105420547

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[1-[(3-methyl-1,2-oxazol-4-yl)methylamino]spiro[3.3]heptan-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3,4-dimethyl-N-[1-[(3-methyl-1,2-oxazol-4-yl)methylamino]spiro[3.3]heptan-3-yl]cyclohexane-1-carboxamide (CID 154855808) is 3,4-dimethyl-N-[1-[(3-methyl-1,2-oxazol-4-yl)methylamino]spiro[3.3]heptan-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3,4-dimethyl-N-[1-[(3-methyl-1,2-oxazol-4-yl)methylamino]spiro[3.3]heptan-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3,4-dimethyl-N-[1-[(3-methyl-1,2-oxazol-4-yl)methylamino]spiro[3.3]heptan-3-yl]cyclohexane-1-carboxamide is Cc1nocc1CNC1CC(NC(=O)C2CCC(C)C(C)C2)C12CCC2.
What is the InChIKey of 3,4-dimethyl-N-[1-[(3-methyl-1,2-oxazol-4-yl)methylamino]spiro[3.3]heptan-3-yl]cyclohexane-1-carboxamide?
The InChIKey is XTTIPSRPOIBZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-13-5-6-16(9-14(13)2)20(25)23-19-10-18(21(19)7-4-8-21)22-11-17-12-26-24-15(17)3/h12-14,16,18-19,22H,4-11H2,1-3H3,(H,23,25).
What are the key properties of 3,4-dimethyl-N-[1-[(3-methyl-1,2-oxazol-4-yl)methylamino]spiro[3.3]heptan-3-yl]cyclohexane-1-carboxamide?
3,4-dimethyl-N-[1-[(3-methyl-1,2-oxazol-4-yl)methylamino]spiro[3.3]heptan-3-yl]cyclohexane-1-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[1-[(3-methyl-1,2-oxazol-4-yl)methylamino]spiro[3.3]heptan-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 154855808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).