2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide

C18H24N2O3 — CID 167079365

IUPAC2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide
SMILESCC(C)(C)OC(O)NC(=O)C(N)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O3/c1-18(2,3)23-17(22)20-16(21)15(19)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10,15,17,22H,11,19H2,1-3H3,(H,20,21)
InChIKeyKGXJKGLFGPHDAQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.92
Rot. Bonds5

About 2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide

2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide (PubChem CID 167079365) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide
PubChem CID167079365
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide
SMILESCC(C)(C)OC(O)NC(=O)C(N)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O3/c1-18(2,3)23-17(22)20-16(21)15(19)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10,15,17,22H,11,19H2,1-3H3,(H,20,21)
InChIKeyKGXJKGLFGPHDAQ-UHFFFAOYSA-N
XLogP1.92
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide
CID 91406698
2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one
CID 118082102
2-amino-N',N'-dimethyl-3-naphthalen-2-ylpropanehydrazide
CID 116849985
(2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide
CID 71163130
(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoic acid
CID 175787823
methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate
CID 154647583
2-amino-N-hydroxy-3-(4-naphthalen-2-yloxyphenyl)propanamide
CID 23148265
tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate
CID 166000692
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 86751289
tert-butyl (4R)-4-amino-5-[[(2S)-1-(butylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-5-oxopentanoate
CID 139381177
2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid
CID 67173075
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-2-ylbutanoic acid
CID 7021578

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide?
The IUPAC name of 2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide (CID 167079365) is 2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide is CC(C)(C)OC(O)NC(=O)C(N)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide?
The InChIKey is KGXJKGLFGPHDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-18(2,3)23-17(22)20-16(21)15(19)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10,15,17,22H,11,19H2,1-3H3,(H,20,21).
What are the key properties of 2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide?
2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide has a molecular weight of 316.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 167079365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).