4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide

C18H26N2O2 — CID 120920624

IUPAC4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCC2(c3ccccc3)CCC2)CCOCC1
InChIInChI=1S/C18H26N2O2/c19-13-17(9-11-22-12-10-17)16(21)20-14-18(7-4-8-18)15-5-2-1-3-6-15/h1-3,5-6H,4,7-14,19H2,(H,20,21)
InChIKeyJNYMKNDLEPCTTG-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.98
Rot. Bonds5

About 4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide

4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide (PubChem CID 120920624) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide
PubChem CID120920624
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCC2(c3ccccc3)CCC2)CCOCC1
InChIInChI=1S/C18H26N2O2/c19-13-17(9-11-22-12-10-17)16(21)20-14-18(7-4-8-18)15-5-2-1-3-6-15/h1-3,5-6H,4,7-14,19H2,(H,20,21)
InChIKeyJNYMKNDLEPCTTG-UHFFFAOYSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide
CID 120920461
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide
CID 120930589
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120927834
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120930158
1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535
1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119276343
4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120927497
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
4-(aminomethyl)-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120932991
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131926281

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide (CID 120920624) is 4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide is NCC1(C(=O)NCC2(c3ccccc3)CCC2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide?
The InChIKey is JNYMKNDLEPCTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c19-13-17(9-11-22-12-10-17)16(21)20-14-18(7-4-8-18)15-5-2-1-3-6-15/h1-3,5-6H,4,7-14,19H2,(H,20,21).
What are the key properties of 4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 120920624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).