N-[1-(dodecylamino)propyl]-2-methylprop-2-enamide

C19H38N2O — CID 174981821

IUPACN-[1-(dodecylamino)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CC)NCCCCCCCCCCCC
InChIInChI=1S/C19H38N2O/c1-5-7-8-9-10-11-12-13-14-15-16-20-18(6-2)21-19(22)17(3)4/h18,20H,3,5-16H2,1-2,4H3,(H,21,22)
InChIKeyULRMOJPVBUQYNM-UHFFFAOYSA-N
MW310.53 g/mol
LogP4.93
Rot. Bonds15

About N-[1-(dodecylamino)propyl]-2-methylprop-2-enamide

N-[1-(dodecylamino)propyl]-2-methylprop-2-enamide (PubChem CID 174981821) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is N-[1-(dodecylamino)propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1-(dodecylamino)propyl]-2-methylprop-2-enamide
PubChem CID174981821
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC NameN-[1-(dodecylamino)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CC)NCCCCCCCCCCCC
InChIInChI=1S/C19H38N2O/c1-5-7-8-9-10-11-12-13-14-15-16-20-18(6-2)21-19(22)17(3)4/h18,20H,3,5-16H2,1-2,4H3,(H,21,22)
InChIKeyULRMOJPVBUQYNM-UHFFFAOYSA-N
XLogP4.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-icosyl-2-methylprop-2-enamide
CID 22336363
2-methyl-N-octan-2-ylprop-2-enamide
CID 54184108
2-methyl-N-tetradecan-2-ylprop-2-enamide
CID 91551786
2-(2-methylprop-2-enoylamino)decane-1-sulfonic acid
CID 87948398
1-(hexylamino)propan-1-ol
CID 57070645
2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
CID 87504173
2-methyl-N-[3-(octadecylamino)-3-oxopropyl]prop-2-enamide
CID 176871830
2-[[1-(2-methylprop-2-enoylamino)-10-oxodecyl]amino]ethanesulfonic acid
CID 18366434
N-(dibutoxymethyl)-2-methylprop-2-enamide
CID 91873110
2-methyl-N-[3-(oxomethylidene)henicosan-4-yl]prop-2-enamide
CID 123399533
[1-(tetradecylamino)butylamino] 2,2,2-trifluoroacetate
CID 175519245
dimethyl-[2-(2-methylprop-2-enoylamino)propyl]-octadecylazanium bromide
CID 157429845

Frequently Asked Questions

What is the IUPAC name of N-[1-(dodecylamino)propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[1-(dodecylamino)propyl]-2-methylprop-2-enamide (CID 174981821) is N-[1-(dodecylamino)propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[1-(dodecylamino)propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[1-(dodecylamino)propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(CC)NCCCCCCCCCCCC.
What is the InChIKey of N-[1-(dodecylamino)propyl]-2-methylprop-2-enamide?
The InChIKey is ULRMOJPVBUQYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-5-7-8-9-10-11-12-13-14-15-16-20-18(6-2)21-19(22)17(3)4/h18,20H,3,5-16H2,1-2,4H3,(H,21,22).
What are the key properties of N-[1-(dodecylamino)propyl]-2-methylprop-2-enamide?
N-[1-(dodecylamino)propyl]-2-methylprop-2-enamide has a molecular weight of 310.53 g/mol, XLogP of 4.93, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dodecylamino)propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 174981821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).