2-(butan-2-ylamino)-1-naphthalen-2-ylethanone

C16H19NO — CID 82101621

IUPAC2-(butan-2-ylamino)-1-naphthalen-2-ylethanone
SMILESCCC(C)NCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO/c1-3-12(2)17-11-16(18)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,17H,3,11H2,1-2H3
InChIKeyWCXITNXARSDYGF-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.41
Rot. Bonds5

About 2-(butan-2-ylamino)-1-naphthalen-2-ylethanone

2-(butan-2-ylamino)-1-naphthalen-2-ylethanone (PubChem CID 82101621) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-naphthalen-2-ylethanone
PubChem CID82101621
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-(butan-2-ylamino)-1-naphthalen-2-ylethanone
SMILESCCC(C)NCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO/c1-3-12(2)17-11-16(18)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,17H,3,11H2,1-2H3
InChIKeyWCXITNXARSDYGF-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
3-methyl-1-naphthalen-2-ylhexan-1-one
CID 55187540
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one
CID 70926564
2-(butan-2-ylamino)-1-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82261882
2-[2-(dimethylamino)ethylamino]-1-naphthalen-2-ylethanone
CID 82101643
triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium
CID 130452133
2-methyl-4-naphthalen-2-yl-4-oxobutanenitrile
CID 53372806
N-ethyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9076388
N-(1-bromopropan-2-yl)naphthalene-2-carboxamide
CID 114310701

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-naphthalen-2-ylethanone?
The IUPAC name of 2-(butan-2-ylamino)-1-naphthalen-2-ylethanone (CID 82101621) is 2-(butan-2-ylamino)-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2-(butan-2-ylamino)-1-naphthalen-2-ylethanone?
The canonical SMILES for 2-(butan-2-ylamino)-1-naphthalen-2-ylethanone is CCC(C)NCC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(butan-2-ylamino)-1-naphthalen-2-ylethanone?
The InChIKey is WCXITNXARSDYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-12(2)17-11-16(18)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,17H,3,11H2,1-2H3.
What are the key properties of 2-(butan-2-ylamino)-1-naphthalen-2-ylethanone?
2-(butan-2-ylamino)-1-naphthalen-2-ylethanone has a molecular weight of 241.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-naphthalen-2-ylethanone is sourced from PubChem (CID 82101621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).