(2S)-2-amino-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-4-methylpentan-1-one

C20H24N2O — CID 119768955

IUPAC(2S)-2-amino-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-4-methylpentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1Cc2ccccc2-c2ccccc2C1
InChIInChI=1S/C20H24N2O/c1-14(2)11-19(21)20(23)22-12-15-7-3-5-9-17(15)18-10-6-4-8-16(18)13-22/h3-10,14,19H,11-13,21H2,1-2H3/t19-/m0/s1
InChIKeyNJPMAGHCYJNJQC-IBGZPJMESA-N
MW308.43 g/mol
LogP3.57
Rot. Bonds3

About (2S)-2-amino-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-4-methylpentan-1-one

(2S)-2-amino-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-4-methylpentan-1-one (PubChem CID 119768955) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (2S)-2-amino-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-4-methylpentan-1-one
PubChem CID119768955
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(2S)-2-amino-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-4-methylpentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1Cc2ccccc2-c2ccccc2C1
InChIInChI=1S/C20H24N2O/c1-14(2)11-19(21)20(23)22-12-15-7-3-5-9-17(15)18-10-6-4-8-16(18)13-22/h3-10,14,19H,11-13,21H2,1-2H3/t19-/m0/s1
InChIKeyNJPMAGHCYJNJQC-IBGZPJMESA-N
XLogP3.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)pentan-1-one
CID 94373290
2-amino-1-(1,3-dihydroisoindol-2-yl)-4-methoxybutan-1-one
CID 62476291
2-[(2S)-2-amino-4-methylpentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 61159605
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride
CID 91647686
(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride
CID 91647685
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
CID 62232341
(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
CID 69186107
1,4-bis(1,3-dihydroisoindol-2-yl)-2,3-dimethylbutane-1,4-dione
CID 119035210
2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride
CID 119777884
(2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 61163140
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
1-(1,3-dihydroisoindol-2-yl)-2-sulfanylpropan-1-one
CID 107028048

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-4-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-4-methylpentan-1-one (CID 119768955) is (2S)-2-amino-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-4-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-4-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-4-methylpentan-1-one is CC(C)C[C@H](N)C(=O)N1Cc2ccccc2-c2ccccc2C1.
What is the InChIKey of (2S)-2-amino-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-4-methylpentan-1-one?
The InChIKey is NJPMAGHCYJNJQC-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O/c1-14(2)11-19(21)20(23)22-12-15-7-3-5-9-17(15)18-10-6-4-8-16(18)13-22/h3-10,14,19H,11-13,21H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-2-amino-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-4-methylpentan-1-one?
(2S)-2-amino-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-4-methylpentan-1-one has a molecular weight of 308.43 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-4-methylpentan-1-one is sourced from PubChem (CID 119768955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).