N-[3-(3,3-dimethyl-1,4-diazepane-1-carbonyl)phenyl]acetamide

C16H23N3O2 — CID 82250549

IUPACN-[3-(3,3-dimethyl-1,4-diazepane-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCCNC(C)(C)C2)c1
InChIInChI=1S/C16H23N3O2/c1-12(20)18-14-7-4-6-13(10-14)15(21)19-9-5-8-17-16(2,3)11-19/h4,6-7,10,17H,5,8-9,11H2,1-3H3,(H,18,20)
InChIKeyLTVYQSRPEHWYSB-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.86
Rot. Bonds2

About N-[3-(3,3-dimethyl-1,4-diazepane-1-carbonyl)phenyl]acetamide

N-[3-(3,3-dimethyl-1,4-diazepane-1-carbonyl)phenyl]acetamide (PubChem CID 82250549) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-(3,3-dimethyl-1,4-diazepane-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,3-dimethyl-1,4-diazepane-1-carbonyl)phenyl]acetamide
PubChem CID82250549
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[3-(3,3-dimethyl-1,4-diazepane-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCCNC(C)(C)C2)c1
InChIInChI=1S/C16H23N3O2/c1-12(20)18-14-7-4-6-13(10-14)15(21)19-9-5-8-17-16(2,3)11-19/h4,6-7,10,17H,5,8-9,11H2,1-3H3,(H,18,20)
InChIKeyLTVYQSRPEHWYSB-UHFFFAOYSA-N
XLogP1.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-dimethylpiperazin-1-yl)-(3-iodophenyl)methanone
CID 79505899
methyl 4-(3-acetamidobenzoyl)-1,4-diazepane-1-carboxylate
CID 110808690
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 106671409
N-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide
CID 62044906
(3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79015493
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide
CID 55178587
N-[3-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)phenyl]acetamide
CID 110750127
N-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 108545962
4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38724570
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-dimethyl-1,4-diazepane-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-(3,3-dimethyl-1,4-diazepane-1-carbonyl)phenyl]acetamide (CID 82250549) is N-[3-(3,3-dimethyl-1,4-diazepane-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(3,3-dimethyl-1,4-diazepane-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-(3,3-dimethyl-1,4-diazepane-1-carbonyl)phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCCNC(C)(C)C2)c1.
What is the InChIKey of N-[3-(3,3-dimethyl-1,4-diazepane-1-carbonyl)phenyl]acetamide?
The InChIKey is LTVYQSRPEHWYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(20)18-14-7-4-6-13(10-14)15(21)19-9-5-8-17-16(2,3)11-19/h4,6-7,10,17H,5,8-9,11H2,1-3H3,(H,18,20).
What are the key properties of N-[3-(3,3-dimethyl-1,4-diazepane-1-carbonyl)phenyl]acetamide?
N-[3-(3,3-dimethyl-1,4-diazepane-1-carbonyl)phenyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-dimethyl-1,4-diazepane-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 82250549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).