N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide

C20H26N2O3 — CID 56785821

IUPACN-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(=O)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C20H26N2O3/c1-20(2,3)11-18(24)22-13-19(25)21-12-17(23)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,17,23H,11-13H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyYXOBYPCIRYOTPF-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.54
Rot. Bonds6

About N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide

N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide (PubChem CID 56785821) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide
PubChem CID56785821
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(=O)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C20H26N2O3/c1-20(2,3)11-18(24)22-13-19(25)21-12-17(23)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,17,23H,11-13H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyYXOBYPCIRYOTPF-UHFFFAOYSA-N
XLogP2.54
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Pronethalol
CID 4930
Pronetalol, (R)-
CID 6604181
benzyl N-[1-[[1-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 44353822
methyl N-[(1S)-1-[[(1S,3S,4S)-1-benzyl-3-hydroxy-5-[4-[3-(hydroxymethyl)phenyl]phenyl]-4-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]pentyl]carbamoyl]-2,2-dimethyl-propyl]carbamate
CID 56594496
methyl N-[(1S)-1-[[(1S,3S,4S)-1-benzyl-3-hydroxy-5-[4-[4-(hydroxymethyl)phenyl]phenyl]-4-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]pentyl]carbamoyl]-2,2-dimethyl-propyl]carbamate
CID 56594497
tert-butyl N-(2-hydroxy-2-(naphthalen-2-yl)ethyl)carbamate
CID 20164847
N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide
CID 22769472
(2R,4S)-4-[2-(4-tert-butylphenyl)ethyl]-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]piperidine-2-carboxamide
CID 89615624
(2S,4R)-4-[2-(4-tert-butylphenyl)ethyl]-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]piperidine-2-carboxamide
CID 117691152
(3S*,4S*)-4-(2-naphthyl)-1-(piperazin-1-ylacetyl)piperidin-3-ol
CID 50960104
N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 56785816
2-[(2-hydroxy-2-naphthalen-2-ylethyl)carbamoylamino]-N-(2-methylpropyl)acetamide
CID 71877036

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide (CID 56785821) is N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCC(=O)NCC(O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide?
The InChIKey is YXOBYPCIRYOTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-20(2,3)11-18(24)22-13-19(25)21-12-17(23)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,17,23H,11-13H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide?
N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide has a molecular weight of 342.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 56785821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).