4-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide

C14H27N3O3 — CID 115439195

IUPAC4-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C14H27N3O3/c1-13(2,3)16-11(18)9-17(4)12(19)14(10-15)5-7-20-8-6-14/h5-10,15H2,1-4H3,(H,16,18)
InChIKeyCTBQQYLYVSRTBX-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.12
Rot. Bonds4

About 4-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide

4-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide (PubChem CID 115439195) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide
PubChem CID115439195
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name4-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C14H27N3O3/c1-13(2,3)16-11(18)9-17(4)12(19)14(10-15)5-7-20-8-6-14/h5-10,15H2,1-4H3,(H,16,18)
InChIKeyCTBQQYLYVSRTBX-UHFFFAOYSA-N
XLogP0.12
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide
CID 79390007
4-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyloxane-4-carboxamide
CID 120918602
(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide
CID 51726123
4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide
CID 114174162
1-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide
CID 80587918
4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide
CID 120927474
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60936943
4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120922145
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120918448
4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide
CID 120941701
3-[[4-(aminomethyl)oxane-4-carbonyl]amino]-3-methylbutanoic acid
CID 113310140
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
CID 120926401

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide (CID 115439195) is 4-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide is CN(CC(=O)NC(C)(C)C)C(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide?
The InChIKey is CTBQQYLYVSRTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-13(2,3)16-11(18)9-17(4)12(19)14(10-15)5-7-20-8-6-14/h5-10,15H2,1-4H3,(H,16,18).
What are the key properties of 4-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide?
4-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide is sourced from PubChem (CID 115439195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).