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

C19H28N2O2 — CID 120920461

IUPAC4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCC2(c3ccccc3)CCCC2)CCOCC1
InChIInChI=1S/C19H28N2O2/c20-14-18(10-12-23-13-11-18)17(22)21-15-19(8-4-5-9-19)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15,20H2,(H,21,22)
InChIKeyWFDIQSITMDWRRP-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.37
Rot. Bonds5

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

4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide (PubChem CID 120920461) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide
PubChem CID120920461
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCC2(c3ccccc3)CCCC2)CCOCC1
InChIInChI=1S/C19H28N2O2/c20-14-18(10-12-23-13-11-18)17(22)21-15-19(8-4-5-9-19)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15,20H2,(H,21,22)
InChIKeyWFDIQSITMDWRRP-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide
CID 120920624
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
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide
CID 120930589
1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535
4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120927497
1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119276343
4-(aminomethyl)-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120932991
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131926281
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
1-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 119314904

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide (CID 120920461) is 4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide is NCC1(C(=O)NCC2(c3ccccc3)CCCC2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide?
The InChIKey is WFDIQSITMDWRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c20-14-18(10-12-23-13-11-18)17(22)21-15-19(8-4-5-9-19)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15,20H2,(H,21,22).
What are the key properties of 4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 2.37, 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-phenylcyclopentyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 120920461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).