N-(1,1-dibutoxybutan-2-yl)prop-2-enamide

C15H29NO3 — CID 23162819

IUPACN-(1,1-dibutoxybutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(CC)C(OCCCC)OCCCC
InChIInChI=1S/C15H29NO3/c1-5-9-11-18-15(19-12-10-6-2)13(7-3)16-14(17)8-4/h8,13,15H,4-7,9-12H2,1-3H3,(H,16,17)
InChIKeyRSEXSQFBGFECDA-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.03
Rot. Bonds12

About N-(1,1-dibutoxybutan-2-yl)prop-2-enamide

N-(1,1-dibutoxybutan-2-yl)prop-2-enamide (PubChem CID 23162819) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-(1,1-dibutoxybutan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,1-dibutoxybutan-2-yl)prop-2-enamide
PubChem CID23162819
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC NameN-(1,1-dibutoxybutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(CC)C(OCCCC)OCCCC
InChIInChI=1S/C15H29NO3/c1-5-9-11-18-15(19-12-10-6-2)13(7-3)16-14(17)8-4/h8,13,15H,4-7,9-12H2,1-3H3,(H,16,17)
InChIKeyRSEXSQFBGFECDA-UHFFFAOYSA-N
XLogP3.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dibutoxybutan-2-yl)prop-2-enamide?
The IUPAC name of N-(1,1-dibutoxybutan-2-yl)prop-2-enamide (CID 23162819) is N-(1,1-dibutoxybutan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1,1-dibutoxybutan-2-yl)prop-2-enamide?
The canonical SMILES for N-(1,1-dibutoxybutan-2-yl)prop-2-enamide is C=CC(=O)NC(CC)C(OCCCC)OCCCC.
What is the InChIKey of N-(1,1-dibutoxybutan-2-yl)prop-2-enamide?
The InChIKey is RSEXSQFBGFECDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-5-9-11-18-15(19-12-10-6-2)13(7-3)16-14(17)8-4/h8,13,15H,4-7,9-12H2,1-3H3,(H,16,17).
What are the key properties of N-(1,1-dibutoxybutan-2-yl)prop-2-enamide?
N-(1,1-dibutoxybutan-2-yl)prop-2-enamide has a molecular weight of 271.40 g/mol, XLogP of 3.03, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dibutoxybutan-2-yl)prop-2-enamide is sourced from PubChem (CID 23162819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).