(2R)-2-amino-N-(2-methyl-3-octadecoxypropyl)propanamide;ethane

C39H94N2O2 — CID 142168417

IUPAC(2R)-2-amino-N-(2-methyl-3-octadecoxypropyl)propanamide;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CCCCCCCCCCCCCCCCCCOCC(C)CNC(=O)[C@@H](C)N
InChIInChI=1S/C25H52N2O2.7C2H6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-22-23(2)21-27-25(28)24(3)26;7*1-2/h23-24H,4-22,26H2,1-3H3,(H,27,28);7*1-2H3/t23?,24-;;;;;;;/m1......./s1
InChIKeyRYLQABDHMFIALO-MOGCQVHUSA-N
MW623.19 g/mol
LogP13.55
Rot. Bonds22

About (2R)-2-amino-N-(2-methyl-3-octadecoxypropyl)propanamide;ethane

(2R)-2-amino-N-(2-methyl-3-octadecoxypropyl)propanamide;ethane (PubChem CID 142168417) has the molecular formula C39H94N2O2 and a molecular weight of 623.19 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-methyl-3-octadecoxypropyl)propanamide;ethane.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-methyl-3-octadecoxypropyl)propanamide;ethane
PubChem CID142168417
Molecular FormulaC39H94N2O2
Molecular Weight623.19 g/mol
Exact Mass622.73
IUPAC Name(2R)-2-amino-N-(2-methyl-3-octadecoxypropyl)propanamide;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CCCCCCCCCCCCCCCCCCOCC(C)CNC(=O)[C@@H](C)N
InChIInChI=1S/C25H52N2O2.7C2H6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-22-23(2)21-27-25(28)24(3)26;7*1-2/h23-24H,4-22,26H2,1-3H3,(H,27,28);7*1-2H3/t23?,24-;;;;;;;/m1......./s1
InChIKeyRYLQABDHMFIALO-MOGCQVHUSA-N
XLogP13.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.19
LogP ≤ 513.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxy-2-methylpropyl)acetamide
CID 134356705
2-amino-3-decoxypropanoic acid
CID 134329186
(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
2-methyl-3-undecoxypropan-1-ol
CID 138675065
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
2-tridecoxyacetamide
CID 54483018
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
CID 106236536
3-methyl-1-octoxybutan-2-one
CID 79395120
2-hexoxyethyl 2-aminopropanoate;hydrochloride
CID 74957486
(2S)-2,6-diamino-N-[2,3-di(tetradecoxy)propyl]hexanamide;hydrochloride
CID 164615658
heptyl 2-aminopropanoate
CID 14657662

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-methyl-3-octadecoxypropyl)propanamide;ethane?
The IUPAC name of (2R)-2-amino-N-(2-methyl-3-octadecoxypropyl)propanamide;ethane (CID 142168417) is (2R)-2-amino-N-(2-methyl-3-octadecoxypropyl)propanamide;ethane.
What is the SMILES notation for (2R)-2-amino-N-(2-methyl-3-octadecoxypropyl)propanamide;ethane?
The canonical SMILES for (2R)-2-amino-N-(2-methyl-3-octadecoxypropyl)propanamide;ethane is CC.CC.CC.CC.CC.CC.CC.CCCCCCCCCCCCCCCCCCOCC(C)CNC(=O)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-N-(2-methyl-3-octadecoxypropyl)propanamide;ethane?
The InChIKey is RYLQABDHMFIALO-MOGCQVHUSA-N. The full InChI is InChI=1S/C25H52N2O2.7C2H6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-22-23(2)21-27-25(28)24(3)26;7*1-2/h23-24H,4-22,26H2,1-3H3,(H,27,28);7*1-2H3/t23?,24-;;;;;;;/m1......./s1.
What are the key properties of (2R)-2-amino-N-(2-methyl-3-octadecoxypropyl)propanamide;ethane?
(2R)-2-amino-N-(2-methyl-3-octadecoxypropyl)propanamide;ethane has a molecular weight of 623.19 g/mol, XLogP of 13.55, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-methyl-3-octadecoxypropyl)propanamide;ethane is sourced from PubChem (CID 142168417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).