N-(3-amino-2,2-difluoropropyl)dodecanamide

C15H30F2N2O — CID 114383633

IUPACN-(3-amino-2,2-difluoropropyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(F)(F)CN
InChIInChI=1S/C15H30F2N2O/c1-2-3-4-5-6-7-8-9-10-11-14(20)19-13-15(16,17)12-18/h2-13,18H2,1H3,(H,19,20)
InChIKeyVFPYWTDCKJRBEW-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.62
Rot. Bonds13

About N-(3-amino-2,2-difluoropropyl)dodecanamide

N-(3-amino-2,2-difluoropropyl)dodecanamide (PubChem CID 114383633) has the molecular formula C15H30F2N2O and a molecular weight of 292.41 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)dodecanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)dodecanamide
PubChem CID114383633
Molecular FormulaC15H30F2N2O
Molecular Weight292.41 g/mol
Exact Mass292.23
IUPAC NameN-(3-amino-2,2-difluoropropyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(F)(F)CN
InChIInChI=1S/C15H30F2N2O/c1-2-3-4-5-6-7-8-9-10-11-14(20)19-13-15(16,17)12-18/h2-13,18H2,1H3,(H,19,20)
InChIKeyVFPYWTDCKJRBEW-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide
CID 122081032
N-[2-(aminomethyl)-2-ethylbutyl]hexanamide
CID 106250199
N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
(Z)-N-(aminomethyl)docos-13-enamide
CID 139970959
N-(2-aminoethyl)nonanamide
CID 13028008
N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide
CID 141198616
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
(3-amino-2,2-difluoropropyl)carbamic acid
CID 121434560
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)dodecanamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)dodecanamide (CID 114383633) is N-(3-amino-2,2-difluoropropyl)dodecanamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)dodecanamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)dodecanamide is CCCCCCCCCCCC(=O)NCC(F)(F)CN.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)dodecanamide?
The InChIKey is VFPYWTDCKJRBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F2N2O/c1-2-3-4-5-6-7-8-9-10-11-14(20)19-13-15(16,17)12-18/h2-13,18H2,1H3,(H,19,20).
What are the key properties of N-(3-amino-2,2-difluoropropyl)dodecanamide?
N-(3-amino-2,2-difluoropropyl)dodecanamide has a molecular weight of 292.41 g/mol, XLogP of 3.62, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)dodecanamide is sourced from PubChem (CID 114383633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).