2-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide

C14H20N2O2 — CID 81089612

IUPAC2-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
SMILESCOCC(N)C(=O)NC1CCc2ccccc2C1
InChIInChI=1S/C14H20N2O2/c1-18-9-13(15)14(17)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-5,12-13H,6-9,15H2,1H3,(H,16,17)
InChIKeyIEWFTZYWBWHMTG-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.63
Rot. Bonds4

About 2-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide

2-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide (PubChem CID 81089612) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
PubChem CID81089612
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
SMILESCOCC(N)C(=O)NC1CCc2ccccc2C1
InChIInChI=1S/C14H20N2O2/c1-18-9-13(15)14(17)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-5,12-13H,6-9,15H2,1H3,(H,16,17)
InChIKeyIEWFTZYWBWHMTG-UHFFFAOYSA-N
XLogP0.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide;hydrochloride
CID 119270502
2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide
CID 62305097
2-amino-3-methoxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120993734
2-(aminomethyl)-4,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide
CID 107472031
3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide;hydrochloride
CID 119948996
2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide
CID 120989012
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 79202769
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43223105
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
(2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid
CID 166506978
N-(3-methoxypropyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide
CID 60719611
propan-2-yl N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 116655524

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
The IUPAC name of 2-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide (CID 81089612) is 2-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide is COCC(N)C(=O)NC1CCc2ccccc2C1.
What is the InChIKey of 2-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
The InChIKey is IEWFTZYWBWHMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-9-13(15)14(17)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-5,12-13H,6-9,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
2-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide is sourced from PubChem (CID 81089612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).