1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide

C18H26N2O2 — CID 119293535

IUPAC1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCC2(c3ccccc3)CCOCC2)CCCC1
InChIInChI=1S/C18H26N2O2/c19-18(8-4-5-9-18)16(21)20-14-17(10-12-22-13-11-17)15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14,19H2,(H,20,21)
InChIKeyIZZUCOPZKVSDPJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.12
Rot. Bonds4

About 1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide

1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 119293535) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
PubChem CID119293535
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCC2(c3ccccc3)CCOCC2)CCCC1
InChIInChI=1S/C18H26N2O2/c19-18(8-4-5-9-18)16(21)20-14-17(10-12-22-13-11-17)15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14,19H2,(H,20,21)
InChIKeyIZZUCOPZKVSDPJ-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119276343
1-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 119314904
4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide
CID 120920461
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide
CID 120920624
1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
CID 119749400
N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131926281
2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 111430576
1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119303810
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide
CID 27451627

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide (CID 119293535) is 1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide is NC1(C(=O)NCC2(c3ccccc3)CCOCC2)CCCC1.
What is the InChIKey of 1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is IZZUCOPZKVSDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c19-18(8-4-5-9-18)16(21)20-14-17(10-12-22-13-11-17)15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14,19H2,(H,20,21).
What are the key properties of 1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide?
1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119293535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).