N-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide

C22H29N3O2 — CID 9078759

IUPACN-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H29N3O2/c1-22(2,3)23-20(26)16-24-11-6-12-25(14-13-24)21(27)19-10-9-17-7-4-5-8-18(17)15-19/h4-5,7-10,15H,6,11-14,16H2,1-3H3,(H,23,26)
InChIKeyDXANHCMUMXMJHU-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.90
Rot. Bonds3

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

N-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 9078759) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide
PubChem CID9078759
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H29N3O2/c1-22(2,3)23-20(26)16-24-11-6-12-25(14-13-24)21(27)19-10-9-17-7-4-5-8-18(17)15-19/h4-5,7-10,15H,6,11-14,16H2,1-3H3,(H,23,26)
InChIKeyDXANHCMUMXMJHU-UHFFFAOYSA-N
XLogP2.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide
CID 9078788
N-tert-butyl-2-[4-(4-nitrobenzoyl)-1,4-diazepan-1-yl]acetamide
CID 9078752
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
N-(2-methoxyethyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8541485
N-tert-butyl-2-[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]acetamide
CID 47017216
N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8945118
N-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide
CID 24641891
N-tert-butyl-2-[4-(9-pentylcarbazole-3-carbonyl)piperazin-1-yl]acetamide
CID 130297023
2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
CID 60585100
[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 43390847
N-tert-butyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 39463575
4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 24528511

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide (CID 9078759) is N-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is DXANHCMUMXMJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-22(2,3)23-20(26)16-24-11-6-12-25(14-13-24)21(27)19-10-9-17-7-4-5-8-18(17)15-19/h4-5,7-10,15H,6,11-14,16H2,1-3H3,(H,23,26).
What are the key properties of N-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide?
N-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 9078759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).