2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide

C15H23N3O2 — CID 138652155

IUPAC2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
SMILESCc1ccc2c(c1)CCN(C[C@H](C)NC(=O)CNO)C2
InChIInChI=1S/C15H23N3O2/c1-11-3-4-14-10-18(6-5-13(14)7-11)9-12(2)17-15(19)8-16-20/h3-4,7,12,16,20H,5-6,8-10H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyFECVCLYJFPFSIP-LBPRGKRZSA-N
MW277.37 g/mol
LogP0.84
Rot. Bonds5

About 2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide

2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide (PubChem CID 138652155) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
PubChem CID138652155
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
SMILESCc1ccc2c(c1)CCN(C[C@H](C)NC(=O)CNO)C2
InChIInChI=1S/C15H23N3O2/c1-11-3-4-14-10-18(6-5-13(14)7-11)9-12(2)17-15(19)8-16-20/h3-4,7,12,16,20H,5-6,8-10H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyFECVCLYJFPFSIP-LBPRGKRZSA-N
XLogP0.84
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.84
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-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide
CID 138652283
6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 145125206
N-[(2S)-1-(8-tert-butyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]-2-(hydroxyamino)acetamide
CID 138651678
2-(hydroxyamino)-N-[(2S)-1-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
CID 138652280
N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
CID 138651704
2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82279778
2-(hydroxyamino)-N-[(2S)-1-(6-iodo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide
CID 138652186
N-methyl-2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 142067783
6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 89043863
2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide
CID 138651702
[1-[[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-2-phenylethyl]boronic acid
CID 142595860
N-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide
CID 138652303

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide (CID 138652155) is 2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide is Cc1ccc2c(c1)CCN(C[C@H](C)NC(=O)CNO)C2.
What is the InChIKey of 2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide?
The InChIKey is FECVCLYJFPFSIP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-3-4-14-10-18(6-5-13(14)7-11)9-12(2)17-15(19)8-16-20/h3-4,7,12,16,20H,5-6,8-10H2,1-2H3,(H,17,19)/t12-/m0/s1.
What are the key properties of 2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide?
2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.84, 5 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-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide is sourced from PubChem (CID 138652155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).