N-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide

C23H28N6O2 — CID 25306522

IUPACN-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide
SMILESCN1CCCN(C(=O)c2cn(CCNC(=O)Cc3ccc4ccccc4c3)nn2)CC1
InChIInChI=1S/C23H28N6O2/c1-27-10-4-11-28(14-13-27)23(31)21-17-29(26-25-21)12-9-24-22(30)16-18-7-8-19-5-2-3-6-20(19)15-18/h2-3,5-8,15,17H,4,9-14,16H2,1H3,(H,24,30)
InChIKeyBFSUKRWNYIPDLH-UHFFFAOYSA-N
MW420.52 g/mol
LogP1.57
Rot. Bonds6

About N-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide

N-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide (PubChem CID 25306522) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide
PubChem CID25306522
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide
SMILESCN1CCCN(C(=O)c2cn(CCNC(=O)Cc3ccc4ccccc4c3)nn2)CC1
InChIInChI=1S/C23H28N6O2/c1-27-10-4-11-28(14-13-27)23(31)21-17-29(26-25-21)12-9-24-22(30)16-18-7-8-19-5-2-3-6-20(19)15-18/h2-3,5-8,15,17H,4,9-14,16H2,1H3,(H,24,30)
InChIKeyBFSUKRWNYIPDLH-UHFFFAOYSA-N
XLogP1.57
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

morpholin-4-yl-[1-[3-(naphthalen-2-ylmethylamino)propyl]triazol-4-yl]methanone
CID 25291197
N-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide
CID 42321320
3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide
CID 42189042
2-(3-chlorophenyl)-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide
CID 42437650
N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55725492
N-[2-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]-2-(2-fluorophenyl)acetamide
CID 42449009
1-(4-acetyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanone
CID 134061666
(4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone
CID 42415249
1-(4-chlorophenyl)-N-[3-[4-(4-methylpiperazine-1-carbonyl)triazol-1-yl]propyl]cyclobutane-1-carboxamide
CID 26316540
(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 57403942
methyl 1-(naphthalen-2-ylmethyl)triazole-4-carboxylate
CID 122241268
N-[2-(ethylamino)ethyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119504641

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide (CID 25306522) is N-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide is CN1CCCN(C(=O)c2cn(CCNC(=O)Cc3ccc4ccccc4c3)nn2)CC1.
What is the InChIKey of N-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide?
The InChIKey is BFSUKRWNYIPDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-27-10-4-11-28(14-13-27)23(31)21-17-29(26-25-21)12-9-24-22(30)16-18-7-8-19-5-2-3-6-20(19)15-18/h2-3,5-8,15,17H,4,9-14,16H2,1H3,(H,24,30).
What are the key properties of N-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide?
N-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide has a molecular weight of 420.52 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 25306522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).