N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(methylamino)pentanamide

C16H28N2O — CID 70892497

IUPACN-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(methylamino)pentanamide
SMILESCNCCCCC(=O)NC1=CC=C(C(C)(C)C)CC1
InChIInChI=1S/C16H28N2O/c1-16(2,3)13-8-10-14(11-9-13)18-15(19)7-5-6-12-17-4/h8,10,17H,5-7,9,11-12H2,1-4H3,(H,18,19)
InChIKeyNOJSYYZSBDZQNI-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.14
Rot. Bonds6

About N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(methylamino)pentanamide

N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(methylamino)pentanamide (PubChem CID 70892497) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(methylamino)pentanamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(methylamino)pentanamide
PubChem CID70892497
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(methylamino)pentanamide
SMILESCNCCCCC(=O)NC1=CC=C(C(C)(C)C)CC1
InChIInChI=1S/C16H28N2O/c1-16(2,3)13-8-10-14(11-9-13)18-15(19)7-5-6-12-17-4/h8,10,17H,5-7,9,11-12H2,1-4H3,(H,18,19)
InChIKeyNOJSYYZSBDZQNI-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(methylamino)pentanamide?
The IUPAC name of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(methylamino)pentanamide (CID 70892497) is N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(methylamino)pentanamide.
What is the SMILES notation for N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(methylamino)pentanamide?
The canonical SMILES for N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(methylamino)pentanamide is CNCCCCC(=O)NC1=CC=C(C(C)(C)C)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(methylamino)pentanamide?
The InChIKey is NOJSYYZSBDZQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2,3)13-8-10-14(11-9-13)18-15(19)7-5-6-12-17-4/h8,10,17H,5-7,9,11-12H2,1-4H3,(H,18,19).
What are the key properties of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(methylamino)pentanamide?
N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(methylamino)pentanamide has a molecular weight of 264.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(methylamino)pentanamide is sourced from PubChem (CID 70892497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).