N-(4,4a-dihydronaphthalen-2-ylmethyl)propanamide

C14H17NO — CID 143494879

IUPACN-(4,4a-dihydronaphthalen-2-ylmethyl)propanamide
SMILESCCC(=O)NCC1=CCC2C=CC=CC2=C1
InChIInChI=1S/C14H17NO/c1-2-14(16)15-10-11-7-8-12-5-3-4-6-13(12)9-11/h3-7,9,12H,2,8,10H2,1H3,(H,15,16)
InChIKeyZUQCLQUSRPMKOV-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.51
Rot. Bonds3

About N-(4,4a-dihydronaphthalen-2-ylmethyl)propanamide

N-(4,4a-dihydronaphthalen-2-ylmethyl)propanamide (PubChem CID 143494879) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(4,4a-dihydronaphthalen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(4,4a-dihydronaphthalen-2-ylmethyl)propanamide
PubChem CID143494879
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-(4,4a-dihydronaphthalen-2-ylmethyl)propanamide
SMILESCCC(=O)NCC1=CCC2C=CC=CC2=C1
InChIInChI=1S/C14H17NO/c1-2-14(16)15-10-11-7-8-12-5-3-4-6-13(12)9-11/h3-7,9,12H,2,8,10H2,1H3,(H,15,16)
InChIKeyZUQCLQUSRPMKOV-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methylcyclohexa-1,5-dien-1-yl)methylurea
CID 143565143
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
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4-[[(1S,2S)-2-(4,4a-dihydronaphthalen-2-yl)cyclopropyl]methyl]cyclohexan-1-amine
CID 170087494
4-butyl-3-methyl-1,8a-dihydronaphthalene
CID 163785888
2-(4-benzylpiperidin-4-yl)-N-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide
CID 142821348
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
CID 30295250
N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 110783031
N-[[3-[(butanoylamino)methyl]-5-[(propanoylamino)methyl]phenyl]methyl]butanamide;ethane
CID 177147488
N-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)methyl]-3-hydroxy-4-oxopyran-2-carboxamide
CID 89227217
ethyl 4-(4-hydroxycyclohexa-2,4-dien-1-yl)benzoate
CID 121338858
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide
CID 143087943

Frequently Asked Questions

What is the IUPAC name of N-(4,4a-dihydronaphthalen-2-ylmethyl)propanamide?
The IUPAC name of N-(4,4a-dihydronaphthalen-2-ylmethyl)propanamide (CID 143494879) is N-(4,4a-dihydronaphthalen-2-ylmethyl)propanamide.
What is the SMILES notation for N-(4,4a-dihydronaphthalen-2-ylmethyl)propanamide?
The canonical SMILES for N-(4,4a-dihydronaphthalen-2-ylmethyl)propanamide is CCC(=O)NCC1=CCC2C=CC=CC2=C1.
What is the InChIKey of N-(4,4a-dihydronaphthalen-2-ylmethyl)propanamide?
The InChIKey is ZUQCLQUSRPMKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-14(16)15-10-11-7-8-12-5-3-4-6-13(12)9-11/h3-7,9,12H,2,8,10H2,1H3,(H,15,16).
What are the key properties of N-(4,4a-dihydronaphthalen-2-ylmethyl)propanamide?
N-(4,4a-dihydronaphthalen-2-ylmethyl)propanamide has a molecular weight of 215.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4a-dihydronaphthalen-2-ylmethyl)propanamide is sourced from PubChem (CID 143494879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).