3-amino-3-methyl-N-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]butanamide

C15H21N3O2 — CID 18651454

IUPAC3-amino-3-methyl-N-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]butanamide
SMILESCC(C)(N)CC(=O)N[C@@H]1CCc2ccccc2NC1=O
InChIInChI=1S/C15H21N3O2/c1-15(2,16)9-13(19)17-12-8-7-10-5-3-4-6-11(10)18-14(12)20/h3-6,12H,7-9,16H2,1-2H3,(H,17,19)(H,18,20)/t12-/m1/s1
InChIKeySQGXVIWEXNEQDB-GFCCVEGCSA-N
MW275.35 g/mol
LogP1.18
Rot. Bonds3

About 3-amino-3-methyl-N-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]butanamide

3-amino-3-methyl-N-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]butanamide (PubChem CID 18651454) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]butanamide
PubChem CID18651454
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-amino-3-methyl-N-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]butanamide
SMILESCC(C)(N)CC(=O)N[C@@H]1CCc2ccccc2NC1=O
InChIInChI=1S/C15H21N3O2/c1-15(2,16)9-13(19)17-12-8-7-10-5-3-4-6-11(10)18-14(12)20/h3-6,12H,7-9,16H2,1-2H3,(H,17,19)(H,18,20)/t12-/m1/s1
InChIKeySQGXVIWEXNEQDB-GFCCVEGCSA-N
XLogP1.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]butanamide (CID 18651454) is 3-amino-3-methyl-N-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]butanamide is CC(C)(N)CC(=O)N[C@@H]1CCc2ccccc2NC1=O.
What is the InChIKey of 3-amino-3-methyl-N-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]butanamide?
The InChIKey is SQGXVIWEXNEQDB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,16)9-13(19)17-12-8-7-10-5-3-4-6-11(10)18-14(12)20/h3-6,12H,7-9,16H2,1-2H3,(H,17,19)(H,18,20)/t12-/m1/s1.
What are the key properties of 3-amino-3-methyl-N-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]butanamide?
3-amino-3-methyl-N-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]butanamide has a molecular weight of 275.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]butanamide is sourced from PubChem (CID 18651454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).