N-tert-butyl-4-pentanoyl-1,4-diazepane-1-carboxamide

C15H29N3O2 — CID 110811353

IUPACN-tert-butyl-4-pentanoyl-1,4-diazepane-1-carboxamide
SMILESCCCCC(=O)N1CCCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-5-6-8-13(19)17-9-7-10-18(12-11-17)14(20)16-15(2,3)4/h5-12H2,1-4H3,(H,16,20)
InChIKeyILCCSCTVROUYAL-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.22
Rot. Bonds3

About N-tert-butyl-4-pentanoyl-1,4-diazepane-1-carboxamide

N-tert-butyl-4-pentanoyl-1,4-diazepane-1-carboxamide (PubChem CID 110811353) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-tert-butyl-4-pentanoyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-pentanoyl-1,4-diazepane-1-carboxamide
PubChem CID110811353
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-tert-butyl-4-pentanoyl-1,4-diazepane-1-carboxamide
SMILESCCCCC(=O)N1CCCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-5-6-8-13(19)17-9-7-10-18(12-11-17)14(20)16-15(2,3)4/h5-12H2,1-4H3,(H,16,20)
InChIKeyILCCSCTVROUYAL-UHFFFAOYSA-N
XLogP2.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
N-tert-butyl-4-[3-(4-methylphenyl)propanoyl]-1,4-diazepane-1-carboxamide
CID 110811775
N-tert-butyl-4-[3-(2-fluorophenyl)propanoyl]-1,4-diazepane-1-carboxamide
CID 110811807
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
4-(2-aminoethyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 43252387
1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]pentan-1-one
CID 43251686
N-tert-butyl-4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811839
1-[4-[4-(4-tert-butylphenoxy)butanoyl]-1,4-diazepan-1-yl]pentan-1-one
CID 108546968
4-(2-benzamidoacetyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 110813314
N-tert-butyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813796

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-pentanoyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-tert-butyl-4-pentanoyl-1,4-diazepane-1-carboxamide (CID 110811353) is N-tert-butyl-4-pentanoyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-pentanoyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-pentanoyl-1,4-diazepane-1-carboxamide is CCCCC(=O)N1CCCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-pentanoyl-1,4-diazepane-1-carboxamide?
The InChIKey is ILCCSCTVROUYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-5-6-8-13(19)17-9-7-10-18(12-11-17)14(20)16-15(2,3)4/h5-12H2,1-4H3,(H,16,20).
What are the key properties of N-tert-butyl-4-pentanoyl-1,4-diazepane-1-carboxamide?
N-tert-butyl-4-pentanoyl-1,4-diazepane-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-pentanoyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 110811353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).