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

C14H27NO3 — CID 19376113

IUPACN-(1,1-diethoxyheptan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(CCCCC)C(OCC)OCC
InChIInChI=1S/C14H27NO3/c1-5-9-10-11-12(15-13(16)6-2)14(17-7-3)18-8-4/h6,12,14H,2,5,7-11H2,1,3-4H3,(H,15,16)
InChIKeySKJOJYOEHDPNAF-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.64
Rot. Bonds11

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

N-(1,1-diethoxyheptan-2-yl)prop-2-enamide (PubChem CID 19376113) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N-(1,1-diethoxyheptan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,1-diethoxyheptan-2-yl)prop-2-enamide
PubChem CID19376113
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-(1,1-diethoxyheptan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(CCCCC)C(OCC)OCC
InChIInChI=1S/C14H27NO3/c1-5-9-10-11-12(15-13(16)6-2)14(17-7-3)18-8-4/h6,12,14H,2,5,7-11H2,1,3-4H3,(H,15,16)
InChIKeySKJOJYOEHDPNAF-UHFFFAOYSA-N
XLogP2.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.64
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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Related Compounds

Acrylamidobutyraldehyde Dimethyl Acetal
CID 18520795
N-(1,1-diethoxyhexan-2-yl)prop-2-enamide
CID 19376111
N-(1,1-dipropoxyheptan-2-yl)prop-2-enamide
CID 19376117
N-(1,1-dimethoxyheptan-2-yl)prop-2-enamide
CID 19376124
Acrylamidopentanal Diethyl Acetal
CID 19376127
N-[1,1-di(propan-2-yloxy)butan-2-yl]prop-2-enamide
CID 19376129
N-(1,1-dipropoxyhexan-2-yl)prop-2-enamide
CID 19376134
N-(1,1-dimethoxyhexan-2-yl)prop-2-enamide
CID 19376139
N-(1,1-dimethoxypentan-2-yl)prop-2-enamide
CID 19376148
N-(1,1-dipropoxybutan-2-yl)prop-2-enamide
CID 19376153
N-(2,2-dipentoxyethyl)prop-2-enamide
CID 19746540
N-(8,8-dimethoxyoctyl)prop-2-enamide
CID 21909766

Frequently Asked Questions

What is the IUPAC name of N-(1,1-diethoxyheptan-2-yl)prop-2-enamide?
The IUPAC name of N-(1,1-diethoxyheptan-2-yl)prop-2-enamide (CID 19376113) is N-(1,1-diethoxyheptan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1,1-diethoxyheptan-2-yl)prop-2-enamide?
The canonical SMILES for N-(1,1-diethoxyheptan-2-yl)prop-2-enamide is C=CC(=O)NC(CCCCC)C(OCC)OCC.
What is the InChIKey of N-(1,1-diethoxyheptan-2-yl)prop-2-enamide?
The InChIKey is SKJOJYOEHDPNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-9-10-11-12(15-13(16)6-2)14(17-7-3)18-8-4/h6,12,14H,2,5,7-11H2,1,3-4H3,(H,15,16).
What are the key properties of N-(1,1-diethoxyheptan-2-yl)prop-2-enamide?
N-(1,1-diethoxyheptan-2-yl)prop-2-enamide has a molecular weight of 257.37 g/mol, XLogP of 2.64, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-diethoxyheptan-2-yl)prop-2-enamide is sourced from PubChem (CID 19376113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).