N-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide

C20H27NO2 — CID 135192580

IUPACN-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide
SMILESCC(C)C(CC(C)(C)C)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C20H27NO2/c1-13(2)16(12-20(3,4)5)19(23)21-17-10-6-9-15-14(17)8-7-11-18(15)22/h6-11,13,16,22H,12H2,1-5H3,(H,21,23)
InChIKeyQNYRRCIFXQZMDK-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.19
Rot. Bonds4

About N-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide

N-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide (PubChem CID 135192580) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide.

Molecular Properties

Compound NameN-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide
PubChem CID135192580
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide
SMILESCC(C)C(CC(C)(C)C)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C20H27NO2/c1-13(2)16(12-20(3,4)5)19(23)21-17-10-6-9-15-14(17)8-7-11-18(15)22/h6-11,13,16,22H,12H2,1-5H3,(H,21,23)
InChIKeyQNYRRCIFXQZMDK-UHFFFAOYSA-N
XLogP5.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide
CID 61180078
3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide
CID 62726815
N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide
CID 64590909
(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide
CID 61180080
3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide
CID 60841593
N-(5-hydroxynaphthalen-1-yl)propanamide
CID 12882754
2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide
CID 143326178
(2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride
CID 46179715
3-[(5-hydroxynaphthalen-1-yl)amino]-3-oxopropanoic acid
CID 62231947
N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509432
N'-(5-hydroxynaphthalen-1-yl)-N-(2-hydroxyphenyl)oxamide
CID 108509252
2-bromo-3-methyl-N-naphthalen-1-ylbutanamide
CID 4074049

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide?
The IUPAC name of N-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide (CID 135192580) is N-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide.
What is the SMILES notation for N-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide?
The canonical SMILES for N-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide is CC(C)C(CC(C)(C)C)C(=O)Nc1cccc2c(O)cccc12.
What is the InChIKey of N-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide?
The InChIKey is QNYRRCIFXQZMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-13(2)16(12-20(3,4)5)19(23)21-17-10-6-9-15-14(17)8-7-11-18(15)22/h6-11,13,16,22H,12H2,1-5H3,(H,21,23).
What are the key properties of N-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide?
N-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide has a molecular weight of 313.44 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide is sourced from PubChem (CID 135192580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).