N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide

C16H24N2O2 — CID 106297338

IUPACN-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC2(CN)CCOCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)13-3-5-14(6-4-13)15(19)18-16(11-17)7-9-20-10-8-16/h3-6,12H,7-11,17H2,1-2H3,(H,18,19)
InChIKeyHMLJTQYONTZRKH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.05
Rot. Bonds4

About N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide

N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide (PubChem CID 106297338) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide
PubChem CID106297338
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC2(CN)CCOCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)13-3-5-14(6-4-13)15(19)18-16(11-17)7-9-20-10-8-16/h3-6,12H,7-11,17H2,1-2H3,(H,18,19)
InChIKeyHMLJTQYONTZRKH-UHFFFAOYSA-N
XLogP2.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide
CID 63756015
N-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide
CID 114170027
N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 106297118
N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 106297138
N-[4-(bromomethyl)oxan-4-yl]-4-chlorobenzamide
CID 106300976
4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298903
N-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
CID 106297509
4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
CID 119564862
propan-2-yl N-[4-(aminomethyl)oxan-4-yl]carbamate
CID 106297630
N-[4-(bromomethyl)oxan-4-yl]-4-tert-butylbenzamide
CID 106301059
N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 171679438
[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone
CID 116601363

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide (CID 106297338) is N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NC2(CN)CCOCC2)cc1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide?
The InChIKey is HMLJTQYONTZRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)13-3-5-14(6-4-13)15(19)18-16(11-17)7-9-20-10-8-16/h3-6,12H,7-11,17H2,1-2H3,(H,18,19).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide?
N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 106297338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).