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

C15H29NO3 — CID 19376134

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

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

N-(1,1-dipropoxyhexan-2-yl)prop-2-enamide (PubChem CID 19376134) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-(1,1-dipropoxyhexan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,1-dipropoxyhexan-2-yl)prop-2-enamide
PubChem CID19376134
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC NameN-(1,1-dipropoxyhexan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(CCCC)C(OCCC)OCCC
InChIInChI=1S/C15H29NO3/c1-5-9-10-13(16-14(17)8-4)15(18-11-6-2)19-12-7-3/h8,13,15H,4-7,9-12H2,1-3H3,(H,16,17)
InChIKeyQNDTXESJOSBUCC-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': '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-diethoxyheptan-2-yl)prop-2-enamide
CID 19376113
N-(1,1-dipropoxyheptan-2-yl)prop-2-enamide
CID 19376117
(E)-N-(1,1-diethoxybutan-2-yl)but-2-enamide
CID 19376121
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
[1-Acetyloxy-2-(prop-2-enoylamino)butyl] acetate
CID 19376135
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

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dipropoxyhexan-2-yl)prop-2-enamide?
The IUPAC name of N-(1,1-dipropoxyhexan-2-yl)prop-2-enamide (CID 19376134) is N-(1,1-dipropoxyhexan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1,1-dipropoxyhexan-2-yl)prop-2-enamide?
The canonical SMILES for N-(1,1-dipropoxyhexan-2-yl)prop-2-enamide is C=CC(=O)NC(CCCC)C(OCCC)OCCC.
What is the InChIKey of N-(1,1-dipropoxyhexan-2-yl)prop-2-enamide?
The InChIKey is QNDTXESJOSBUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-5-9-10-13(16-14(17)8-4)15(18-11-6-2)19-12-7-3/h8,13,15H,4-7,9-12H2,1-3H3,(H,16,17).
What are the key properties of N-(1,1-dipropoxyhexan-2-yl)prop-2-enamide?
N-(1,1-dipropoxyhexan-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-dipropoxyhexan-2-yl)prop-2-enamide is sourced from PubChem (CID 19376134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).