N-[(2S)-2-amino-3-(2-hydroxyethylamino)-3-oxopropyl]tetradecanamide

C19H39N3O3 — CID 177324933

IUPACN-[(2S)-2-amino-3-(2-hydroxyethylamino)-3-oxopropyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NC[C@H](N)C(=O)NCCO
InChIInChI=1S/C19H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(24)22-16-17(20)19(25)21-14-15-23/h17,23H,2-16,20H2,1H3,(H,21,25)(H,22,24)/t17-/m0/s1
InChIKeyBBQVCHJGHQYBCF-KRWDZBQOSA-N
MW357.54 g/mol
LogP2.24
Rot. Bonds17

About N-[(2S)-2-amino-3-(2-hydroxyethylamino)-3-oxopropyl]tetradecanamide

N-[(2S)-2-amino-3-(2-hydroxyethylamino)-3-oxopropyl]tetradecanamide (PubChem CID 177324933) has the molecular formula C19H39N3O3 and a molecular weight of 357.54 g/mol. Its IUPAC name is N-[(2S)-2-amino-3-(2-hydroxyethylamino)-3-oxopropyl]tetradecanamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3-(2-hydroxyethylamino)-3-oxopropyl]tetradecanamide
PubChem CID177324933
Molecular FormulaC19H39N3O3
Molecular Weight357.54 g/mol
Exact Mass357.30
IUPAC NameN-[(2S)-2-amino-3-(2-hydroxyethylamino)-3-oxopropyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NC[C@H](N)C(=O)NCCO
InChIInChI=1S/C19H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(24)22-16-17(20)19(25)21-14-15-23/h17,23H,2-16,20H2,1H3,(H,21,25)(H,22,24)/t17-/m0/s1
InChIKeyBBQVCHJGHQYBCF-KRWDZBQOSA-N
XLogP2.24
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-amino-3-(hexylamino)-3-oxopropyl]heptanamide;2,2,2-trifluoroacetic acid
CID 175870096
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
N-(2-amino-4-hydroxybutyl)dodecanamide
CID 54436170
N-(2-aminopropyl)octadecanamide
CID 86003506
N-(2-hydroxyethyl)hexadecanamide;phosphoric acid
CID 172708754
6-hydroxy-N-tetradecylhexanamide
CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
N-(3-hydroxypropyl)docosanamide
CID 87200048
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
8-[dibutyl(octyl)silyl]-N-(2-hydroxyethyl)octanamide
CID 122185135
N-(2-hydroxyethyl)docos-13-enamide;hydrochloride
CID 173237481

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3-(2-hydroxyethylamino)-3-oxopropyl]tetradecanamide?
The IUPAC name of N-[(2S)-2-amino-3-(2-hydroxyethylamino)-3-oxopropyl]tetradecanamide (CID 177324933) is N-[(2S)-2-amino-3-(2-hydroxyethylamino)-3-oxopropyl]tetradecanamide.
What is the SMILES notation for N-[(2S)-2-amino-3-(2-hydroxyethylamino)-3-oxopropyl]tetradecanamide?
The canonical SMILES for N-[(2S)-2-amino-3-(2-hydroxyethylamino)-3-oxopropyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NC[C@H](N)C(=O)NCCO.
What is the InChIKey of N-[(2S)-2-amino-3-(2-hydroxyethylamino)-3-oxopropyl]tetradecanamide?
The InChIKey is BBQVCHJGHQYBCF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(24)22-16-17(20)19(25)21-14-15-23/h17,23H,2-16,20H2,1H3,(H,21,25)(H,22,24)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-amino-3-(2-hydroxyethylamino)-3-oxopropyl]tetradecanamide?
N-[(2S)-2-amino-3-(2-hydroxyethylamino)-3-oxopropyl]tetradecanamide has a molecular weight of 357.54 g/mol, XLogP of 2.24, 17 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3-(2-hydroxyethylamino)-3-oxopropyl]tetradecanamide is sourced from PubChem (CID 177324933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).