4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide

C14H26N2O3 — CID 88906866

IUPAC4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide
SMILESC=CC(=O)NCCCCNC(=O)CCCOC(C)C
InChIInChI=1S/C14H26N2O3/c1-4-13(17)15-9-5-6-10-16-14(18)8-7-11-19-12(2)3/h4,12H,1,5-11H2,2-3H3,(H,15,17)(H,16,18)
InChIKeyAECOWLWMASEYMM-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.39
Rot. Bonds11

About 4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide

4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide (PubChem CID 88906866) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide
PubChem CID88906866
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide
SMILESC=CC(=O)NCCCCNC(=O)CCCOC(C)C
InChIInChI=1S/C14H26N2O3/c1-4-13(17)15-9-5-6-10-16-14(18)8-7-11-19-12(2)3/h4,12H,1,5-11H2,2-3H3,(H,15,17)(H,16,18)
InChIKeyAECOWLWMASEYMM-UHFFFAOYSA-N
XLogP1.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-propan-2-yloxybutyl)prop-2-enamide
CID 59532945
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933
5-(4-propan-2-yloxybutanoylamino)pentanoic acid
CID 120687441
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide
CID 166503839
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide
CID 156551412
molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide
CID 155739531
8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
7-amino-N-(3-propan-2-yloxypropyl)heptanamide
CID 61275030
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide?
The IUPAC name of 4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide (CID 88906866) is 4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide.
What is the SMILES notation for 4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide?
The canonical SMILES for 4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide is C=CC(=O)NCCCCNC(=O)CCCOC(C)C.
What is the InChIKey of 4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide?
The InChIKey is AECOWLWMASEYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-13(17)15-9-5-6-10-16-14(18)8-7-11-19-12(2)3/h4,12H,1,5-11H2,2-3H3,(H,15,17)(H,16,18).
What are the key properties of 4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide?
4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide has a molecular weight of 270.37 g/mol, XLogP of 1.39, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide is sourced from PubChem (CID 88906866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).