N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide

C20H30N2O3 — CID 51153172

IUPACN-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-20(2,3)16-8-10-17(11-9-16)25-14-4-5-18(23)21-12-13-22-19(24)15-6-7-15/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyNDFNNURDDSWFKK-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.79
Rot. Bonds9

About N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide

N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide (PubChem CID 51153172) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide
PubChem CID51153172
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-20(2,3)16-8-10-17(11-9-16)25-14-4-5-18(23)21-12-13-22-19(24)15-6-7-15/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyNDFNNURDDSWFKK-UHFFFAOYSA-N
XLogP2.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
4-(4-tert-butylphenoxy)-N-pentylbutanamide
CID 19173675
methyl 3-[4-(4-tert-butylphenoxy)butanoylamino]propanoate
CID 78773025
N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 31336587
N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
CID 119626635
4-[(4-tert-butylphenoxy)methyl]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 112767636
N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide
CID 78779484
N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 108572968
N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]pyrazine-2-carboxamide
CID 108541737
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
(2S,4S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylpiperidine-4-carboxamide
CID 120618324
4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 78784602

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide (CID 51153172) is N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide is CC(C)(C)c1ccc(OCCCC(=O)NCCNC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is NDFNNURDDSWFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-20(2,3)16-8-10-17(11-9-16)25-14-4-5-18(23)21-12-13-22-19(24)15-6-7-15/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide?
N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 51153172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).