N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide

C15H27NO2 — CID 20790198

IUPACN-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide
SMILESC=CCOC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27NO2/c1-5-10-18-13(11-12-8-6-7-9-12)14(17)16-15(2,3)4/h5,12-13H,1,6-11H2,2-4H3,(H,16,17)
InChIKeyKKECSFCOMMVQPQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.05
Rot. Bonds6

About N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide

N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide (PubChem CID 20790198) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide
PubChem CID20790198
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide
SMILESC=CCOC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27NO2/c1-5-10-18-13(11-12-8-6-7-9-12)14(17)16-15(2,3)4/h5,12-13H,1,6-11H2,2-4H3,(H,16,17)
InChIKeyKKECSFCOMMVQPQ-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide
CID 20790195
N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide
CID 20790197
N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide
CID 20790199
N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide
CID 20790260
N-tert-butyl-3-cyclopentyl-2-propoxypropanamide
CID 20790261
3-cyclopentyl-N-propan-2-yl-2-prop-2-enoxypropanamide
CID 21366277
3-cyclopentyl-N-ethyl-2-prop-2-enoxypropanamide
CID 89093019
3-cyclopentyl-N-methyl-2-prop-2-enoxypropanamide
CID 89102889
N-acetyl-2-prop-2-enoxydecanamide
CID 140421547
N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide
CID 158236549
N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopentyl-2-ethoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide
CID 160620635
[1-(Tert-butylamino)-1-oxooctan-2-yl] prop-2-enoate
CID 102530712

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide?
The IUPAC name of N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide (CID 20790198) is N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide.
What is the SMILES notation for N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide?
The canonical SMILES for N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide is C=CCOC(CC1CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide?
The InChIKey is KKECSFCOMMVQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-5-10-18-13(11-12-8-6-7-9-12)14(17)16-15(2,3)4/h5,12-13H,1,6-11H2,2-4H3,(H,16,17).
What are the key properties of N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide?
N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide has a molecular weight of 253.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide is sourced from PubChem (CID 20790198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).