carboxymethyl-dimethyl-[(tetradecanoylamino)methyl]azanium

C19H39N2O3+ — CID 20580502

IUPACcarboxymethyl-dimethyl-[(tetradecanoylamino)methyl]azanium
SMILESCCCCCCCCCCCCCC(=O)NC[N+](C)(C)CC(=O)O
InChIInChI=1S/C19H38N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(22)20-17-21(2,3)16-19(23)24/h4-17H2,1-3H3,(H-,20,22,23,24)/p+1
InChIKeyKTCKTDMIVUSIMF-UHFFFAOYSA-O
MW343.53 g/mol
LogP3.92
Rot. Bonds16

About carboxymethyl-dimethyl-[(tetradecanoylamino)methyl]azanium

carboxymethyl-dimethyl-[(tetradecanoylamino)methyl]azanium (PubChem CID 20580502) has the molecular formula C19H39N2O3+ and a molecular weight of 343.53 g/mol. Its IUPAC name is carboxymethyl-dimethyl-[(tetradecanoylamino)methyl]azanium.

Molecular Properties

Compound Namecarboxymethyl-dimethyl-[(tetradecanoylamino)methyl]azanium
PubChem CID20580502
Molecular FormulaC19H39N2O3+
Molecular Weight343.53 g/mol
Exact Mass343.30
IUPAC Namecarboxymethyl-dimethyl-[(tetradecanoylamino)methyl]azanium
SMILESCCCCCCCCCCCCCC(=O)NC[N+](C)(C)CC(=O)O
InChIInChI=1S/C19H38N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(22)20-17-21(2,3)16-19(23)24/h4-17H2,1-3H3,(H-,20,22,23,24)/p+1
InChIKeyKTCKTDMIVUSIMF-UHFFFAOYSA-O
XLogP3.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.53
LogP ≤ 53.92
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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

carboxymethyl-dimethyl-[3-(tetradecanoylamino)propyl]azanium hydroxide
CID 21150963
carboxymethyl-dimethyl-[2-(5-tetradecoxypentanoylamino)ethyl]azanium
CID 139603353
dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium
CID 166487544
3-(docosanoylamino)propanoic acid
CID 45357432
3-(tetradecanoylamino)propanoic acid
CID 3662949
[2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium
CID 23556532
bis[2-(dodecanoylamino)ethyl]-dimethylazanium chloride
CID 87131100
carboxymethyl-docosyl-dimethylazanium
CID 21149404
carboxymethyl-dimethyl-[3-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]propyl]azanium
CID 53340482
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-ethyltridecanamide
CID 23297417
N-ethylhexadecanamide
CID 18377756

Frequently Asked Questions

What is the IUPAC name of carboxymethyl-dimethyl-[(tetradecanoylamino)methyl]azanium?
The IUPAC name of carboxymethyl-dimethyl-[(tetradecanoylamino)methyl]azanium (CID 20580502) is carboxymethyl-dimethyl-[(tetradecanoylamino)methyl]azanium.
What is the SMILES notation for carboxymethyl-dimethyl-[(tetradecanoylamino)methyl]azanium?
The canonical SMILES for carboxymethyl-dimethyl-[(tetradecanoylamino)methyl]azanium is CCCCCCCCCCCCCC(=O)NC[N+](C)(C)CC(=O)O.
What is the InChIKey of carboxymethyl-dimethyl-[(tetradecanoylamino)methyl]azanium?
The InChIKey is KTCKTDMIVUSIMF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H38N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(22)20-17-21(2,3)16-19(23)24/h4-17H2,1-3H3,(H-,20,22,23,24)/p+1.
What are the key properties of carboxymethyl-dimethyl-[(tetradecanoylamino)methyl]azanium?
carboxymethyl-dimethyl-[(tetradecanoylamino)methyl]azanium has a molecular weight of 343.53 g/mol, XLogP of 3.92, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-dimethyl-[(tetradecanoylamino)methyl]azanium is sourced from PubChem (CID 20580502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).