N-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide

C23H31N3O3 — CID 9078788

IUPACN-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H31N3O3/c1-23(2,3)24-21(27)16-25-11-6-12-26(14-13-25)22(28)17-29-20-10-9-18-7-4-5-8-19(18)15-20/h4-5,7-10,15H,6,11-14,16-17H2,1-3H3,(H,24,27)
InChIKeyYMSZEFUOJNPCBJ-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.67
Rot. Bonds5

About N-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide

N-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 9078788) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide
PubChem CID9078788
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H31N3O3/c1-23(2,3)24-21(27)16-25-11-6-12-26(14-13-25)22(28)17-29-20-10-9-18-7-4-5-8-19(18)15-20/h4-5,7-10,15H,6,11-14,16-17H2,1-3H3,(H,24,27)
InChIKeyYMSZEFUOJNPCBJ-UHFFFAOYSA-N
XLogP2.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 8505748
N-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 9078759
2-naphthalen-2-yloxy-1-(4-prop-2-enyl-1,4-diazepan-1-yl)ethanone
CID 95749780
(2S)-N-tert-butyl-1-methyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-2-carboxamide
CID 59986570
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270
N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide
CID 34222283
1-[4-(2-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 4159290
1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1357381
1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 7354673
N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide
CID 10238336
4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
CID 2050458
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 127032087

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide (CID 9078788) is N-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCCN(C(=O)COc2ccc3ccccc3c2)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is YMSZEFUOJNPCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-23(2,3)24-21(27)16-25-11-6-12-26(14-13-25)22(28)17-29-20-10-9-18-7-4-5-8-19(18)15-20/h4-5,7-10,15H,6,11-14,16-17H2,1-3H3,(H,24,27).
What are the key properties of N-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide?
N-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 9078788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).