2-(hydroxyamino)-N-[(2S)-1-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide

C17H27N3O2 — CID 138652280

IUPAC2-(hydroxyamino)-N-[(2S)-1-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
SMILESCC(C)c1cccc2c1CCN(C[C@H](C)NC(=O)CNO)C2
InChIInChI=1S/C17H27N3O2/c1-12(2)15-6-4-5-14-11-20(8-7-16(14)15)10-13(3)19-17(21)9-18-22/h4-6,12-13,18,22H,7-11H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyCNRPXKNAUJMSHH-ZDUSSCGKSA-N
MW305.42 g/mol
LogP1.65
Rot. Bonds6

About 2-(hydroxyamino)-N-[(2S)-1-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide

2-(hydroxyamino)-N-[(2S)-1-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide (PubChem CID 138652280) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(hydroxyamino)-N-[(2S)-1-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(hydroxyamino)-N-[(2S)-1-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
PubChem CID138652280
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-(hydroxyamino)-N-[(2S)-1-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
SMILESCC(C)c1cccc2c1CCN(C[C@H](C)NC(=O)CNO)C2
InChIInChI=1S/C17H27N3O2/c1-12(2)15-6-4-5-14-11-20(8-7-16(14)15)10-13(3)19-17(21)9-18-22/h4-6,12-13,18,22H,7-11H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyCNRPXKNAUJMSHH-ZDUSSCGKSA-N
XLogP1.65
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxyamino)-N-[(2S)-1-(6-iodo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide
CID 138652186
2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
CID 138652155
2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide
CID 138652283
1-phenyl-2-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanethiol
CID 143140540
N-[(2S)-1-(8-tert-butyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]-2-(hydroxyamino)acetamide
CID 138651678
(2Z)-2-hydroxyimino-N-[(2S)-1-[5-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]acetamide
CID 138652195
N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 125169907
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 70746163
N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 97131820
5-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120905427
N-[1-[4-[[5-(difluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]ethyl]acetamide
CID 118940252
4-[4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine
CID 59734346

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-N-[(2S)-1-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(hydroxyamino)-N-[(2S)-1-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide (CID 138652280) is 2-(hydroxyamino)-N-[(2S)-1-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(hydroxyamino)-N-[(2S)-1-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(hydroxyamino)-N-[(2S)-1-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide is CC(C)c1cccc2c1CCN(C[C@H](C)NC(=O)CNO)C2.
What is the InChIKey of 2-(hydroxyamino)-N-[(2S)-1-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide?
The InChIKey is CNRPXKNAUJMSHH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(2)15-6-4-5-14-11-20(8-7-16(14)15)10-13(3)19-17(21)9-18-22/h4-6,12-13,18,22H,7-11H2,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 2-(hydroxyamino)-N-[(2S)-1-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide?
2-(hydroxyamino)-N-[(2S)-1-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-N-[(2S)-1-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide is sourced from PubChem (CID 138652280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).