2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one

C18H26N2O2 — CID 82261767

IUPAC2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one
SMILESCC(NC1CCCC1)C(=O)c1ccc2c(c1)NCC(C)(C)O2
InChIInChI=1S/C18H26N2O2/c1-12(20-14-6-4-5-7-14)17(21)13-8-9-16-15(10-13)19-11-18(2,3)22-16/h8-10,12,14,19-20H,4-7,11H2,1-3H3
InChIKeyQCYBSKPJIUZZGT-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.37
Rot. Bonds4

About 2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one

2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one (PubChem CID 82261767) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one
PubChem CID82261767
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one
SMILESCC(NC1CCCC1)C(=O)c1ccc2c(c1)NCC(C)(C)O2
InChIInChI=1S/C18H26N2O2/c1-12(20-14-6-4-5-7-14)17(21)13-8-9-16-15(10-13)19-11-18(2,3)22-16/h8-10,12,14,19-20H,4-7,11H2,1-3H3
InChIKeyQCYBSKPJIUZZGT-UHFFFAOYSA-N
XLogP3.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82261019
1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(3-hydroxypropylamino)propan-1-one
CID 82261755
1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(N-methylanilino)propan-1-one
CID 82261022
2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 82101148
2-(cyclopentylamino)-1-(4-ethylphenyl)propan-1-one
CID 82100230
1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one
CID 82258397
1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone
CID 82261734
1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 82260997
2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82261747
2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-carbonitrile
CID 10535622
2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine
CID 83789523
2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one
CID 82100823

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one?
The IUPAC name of 2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one (CID 82261767) is 2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one.
What is the SMILES notation for 2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one?
The canonical SMILES for 2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one is CC(NC1CCCC1)C(=O)c1ccc2c(c1)NCC(C)(C)O2.
What is the InChIKey of 2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one?
The InChIKey is QCYBSKPJIUZZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(20-14-6-4-5-7-14)17(21)13-8-9-16-15(10-13)19-11-18(2,3)22-16/h8-10,12,14,19-20H,4-7,11H2,1-3H3.
What are the key properties of 2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one?
2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one has a molecular weight of 302.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one is sourced from PubChem (CID 82261767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).