4-(2-aminoethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,5-dimethylhexanamide

C16H29N3O2 — CID 79231895

IUPAC4-(2-aminoethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,5-dimethylhexanamide
SMILESCc1noc(C)c1CNC(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C16H29N3O2/c1-11-14(12(2)21-19-11)10-18-15(20)7-6-13(8-9-17)16(3,4)5/h13H,6-10,17H2,1-5H3,(H,18,20)
InChIKeyGJSSEWQPEIHBMS-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.70
Rot. Bonds7

About 4-(2-aminoethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,5-dimethylhexanamide

4-(2-aminoethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,5-dimethylhexanamide (PubChem CID 79231895) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,5-dimethylhexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,5-dimethylhexanamide
PubChem CID79231895
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name4-(2-aminoethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,5-dimethylhexanamide
SMILESCc1noc(C)c1CNC(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C16H29N3O2/c1-11-14(12(2)21-19-11)10-18-15(20)7-6-13(8-9-17)16(3,4)5/h13H,6-10,17H2,1-5H3,(H,18,20)
InChIKeyGJSSEWQPEIHBMS-UHFFFAOYSA-N
XLogP2.70
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbutanamide
CID 47861597
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide
CID 79235982
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 91836065
4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide
CID 106896004
4-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-oxopentanoic acid
CID 79235985
4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119182646
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(ethylamino)acetamide
CID 79236491
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 102914904
2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 79236983
N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110833015
4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
CID 106416885
4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide
CID 115325284

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,5-dimethylhexanamide?
The IUPAC name of 4-(2-aminoethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,5-dimethylhexanamide (CID 79231895) is 4-(2-aminoethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,5-dimethylhexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,5-dimethylhexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,5-dimethylhexanamide is Cc1noc(C)c1CNC(=O)CCC(CCN)C(C)(C)C.
What is the InChIKey of 4-(2-aminoethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,5-dimethylhexanamide?
The InChIKey is GJSSEWQPEIHBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-11-14(12(2)21-19-11)10-18-15(20)7-6-13(8-9-17)16(3,4)5/h13H,6-10,17H2,1-5H3,(H,18,20).
What are the key properties of 4-(2-aminoethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,5-dimethylhexanamide?
4-(2-aminoethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,5-dimethylhexanamide has a molecular weight of 295.43 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,5-dimethylhexanamide is sourced from PubChem (CID 79231895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).