2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone

C16H25N3O — CID 75518092

IUPAC2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone
SMILESCC(C)N1CCCN(C(=O)C(N)c2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c1-13(2)18-9-6-10-19(12-11-18)16(20)15(17)14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12,17H2,1-2H3
InChIKeyRQDDIQPKAZVNQM-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.63
Rot. Bonds3

About 2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone

2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone (PubChem CID 75518092) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone
PubChem CID75518092
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone
SMILESCC(C)N1CCCN(C(=O)C(N)c2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c1-13(2)18-9-6-10-19(12-11-18)16(20)15(17)14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12,17H2,1-2H3
InChIKeyRQDDIQPKAZVNQM-UHFFFAOYSA-N
XLogP1.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 119898929
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
(2S)-2-amino-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 104897534
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone
CID 104897697
4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one
CID 102888815
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119898947
2-amino-2-phenyl-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethanone;dihydrochloride
CID 119844271
2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 119877493
(2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone
CID 81102948

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone?
The IUPAC name of 2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone (CID 75518092) is 2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for 2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone?
The canonical SMILES for 2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone is CC(C)N1CCCN(C(=O)C(N)c2ccccc2)CC1.
What is the InChIKey of 2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone?
The InChIKey is RQDDIQPKAZVNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(2)18-9-6-10-19(12-11-18)16(20)15(17)14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12,17H2,1-2H3.
What are the key properties of 2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone?
2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone has a molecular weight of 275.40 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 75518092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).