N-dodecylprop-2-enamide;6-(prop-2-enoylamino)hexanoic acid

C24H44N2O4 — CID 174555333

IUPACN-dodecylprop-2-enamide;6-(prop-2-enoylamino)hexanoic acid
SMILESC=CC(=O)NCCCCCC(=O)O.C=CC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C15H29NO.C9H15NO3/c1-3-5-6-7-8-9-10-11-12-13-14-16-15(17)4-2;1-2-8(11)10-7-5-3-4-6-9(12)13/h4H,2-3,5-14H2,1H3,(H,16,17);2H,1,3-7H2,(H,10,11)(H,12,13)
InChIKeyZGSTWMNSBSHXNM-UHFFFAOYSA-N
MW424.63 g/mol
LogP5.14
Rot. Bonds19

About N-dodecylprop-2-enamide;6-(prop-2-enoylamino)hexanoic acid

N-dodecylprop-2-enamide;6-(prop-2-enoylamino)hexanoic acid (PubChem CID 174555333) has the molecular formula C24H44N2O4 and a molecular weight of 424.63 g/mol. Its IUPAC name is N-dodecylprop-2-enamide;6-(prop-2-enoylamino)hexanoic acid.

Molecular Properties

Compound NameN-dodecylprop-2-enamide;6-(prop-2-enoylamino)hexanoic acid
PubChem CID174555333
Molecular FormulaC24H44N2O4
Molecular Weight424.63 g/mol
Exact Mass424.33
IUPAC NameN-dodecylprop-2-enamide;6-(prop-2-enoylamino)hexanoic acid
SMILESC=CC(=O)NCCCCCC(=O)O.C=CC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C15H29NO.C9H15NO3/c1-3-5-6-7-8-9-10-11-12-13-14-16-15(17)4-2;1-2-8(11)10-7-5-3-4-6-9(12)13/h4H,2-3,5-14H2,1H3,(H,16,17);2H,1,3-7H2,(H,10,11)(H,12,13)
InChIKeyZGSTWMNSBSHXNM-UHFFFAOYSA-N
XLogP5.14
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-dodecylprop-2-enamide;6-(prop-2-enoylamino)hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Acrylamidohexanoic Acid
CID 324200
7-[Acryloyl(nonyl)amino]heptanoic acid
CID 71399865
11-(Acryloylamino)undecanoic acid
CID 235171
Azacyclotridecan-2-one;hexane-1,6-diamine;hexanedioic acid
CID 170852970
12-[(2-Methylacryloyl)amino]dodecanoic acid
CID 19386585
12-Acrylamido dodecanoic acid
CID 20026787
7-(Prop-2-enoylamino)heptanoic acid
CID 24699045
6-Methylacrylamidohexanoic acid
CID 54131804
(S)-6-Acrylamido-2-aminohexanoic acid
CID 11641210
2-Amino-6-(prop-2-enoylamino)hexanoic acid
CID 324201
6-{9-[N-(5-carboxypentyl)carbamoyl]nonanoylamino}hexanoic acid
CID 3328330
3-(Prop-2-enoylamino)octanoic acid
CID 13879819

Frequently Asked Questions

What is the IUPAC name of N-dodecylprop-2-enamide;6-(prop-2-enoylamino)hexanoic acid?
The IUPAC name of N-dodecylprop-2-enamide;6-(prop-2-enoylamino)hexanoic acid (CID 174555333) is N-dodecylprop-2-enamide;6-(prop-2-enoylamino)hexanoic acid.
What is the SMILES notation for N-dodecylprop-2-enamide;6-(prop-2-enoylamino)hexanoic acid?
The canonical SMILES for N-dodecylprop-2-enamide;6-(prop-2-enoylamino)hexanoic acid is C=CC(=O)NCCCCCC(=O)O.C=CC(=O)NCCCCCCCCCCCC.
What is the InChIKey of N-dodecylprop-2-enamide;6-(prop-2-enoylamino)hexanoic acid?
The InChIKey is ZGSTWMNSBSHXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO.C9H15NO3/c1-3-5-6-7-8-9-10-11-12-13-14-16-15(17)4-2;1-2-8(11)10-7-5-3-4-6-9(12)13/h4H,2-3,5-14H2,1H3,(H,16,17);2H,1,3-7H2,(H,10,11)(H,12,13).
What are the key properties of N-dodecylprop-2-enamide;6-(prop-2-enoylamino)hexanoic acid?
N-dodecylprop-2-enamide;6-(prop-2-enoylamino)hexanoic acid has a molecular weight of 424.63 g/mol, XLogP of 5.14, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecylprop-2-enamide;6-(prop-2-enoylamino)hexanoic acid is sourced from PubChem (CID 174555333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).