(2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide

C24H40N2O5 — CID 154511678

IUPAC(2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide
SMILESCOCCCOc1cc(CCCCCC[C@@H](C)C(=O)NCCNC(C)=O)ccc1OC
InChIInChI=1S/C24H40N2O5/c1-19(24(28)26-15-14-25-20(2)27)10-7-5-6-8-11-21-12-13-22(30-4)23(18-21)31-17-9-16-29-3/h12-13,18-19H,5-11,14-17H2,1-4H3,(H,25,27)(H,26,28)/t19-/m1/s1
InChIKeyGVIXPMCSXHVBRV-LJQANCHMSA-N
MW436.59 g/mol
LogP3.49
Rot. Bonds17

About (2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide

(2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide (PubChem CID 154511678) has the molecular formula C24H40N2O5 and a molecular weight of 436.59 g/mol. Its IUPAC name is (2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide.

Molecular Properties

Compound Name(2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide
PubChem CID154511678
Molecular FormulaC24H40N2O5
Molecular Weight436.59 g/mol
Exact Mass436.29
IUPAC Name(2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide
SMILESCOCCCOc1cc(CCCCCC[C@@H](C)C(=O)NCCNC(C)=O)ccc1OC
InChIInChI=1S/C24H40N2O5/c1-19(24(28)26-15-14-25-20(2)27)10-7-5-6-8-11-21-12-13-22(30-4)23(18-21)31-17-9-16-29-3/h12-13,18-19H,5-11,14-17H2,1-4H3,(H,25,27)(H,26,28)/t19-/m1/s1
InChIKeyGVIXPMCSXHVBRV-LJQANCHMSA-N
XLogP3.49
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide
CID 141057465
(2R)-N-(3-tert-butylsulfonylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;hydrochloride
CID 172865516
(2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride
CID 172818936
4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine
CID 118279248
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[4-(dimethylamino)-4-oxobutyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide
CID 91519200
1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea
CID 48559736
N'-(2-acetamidoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506297
N-(2-formamido-2-methylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide
CID 91195500
(2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide
CID 141057475
1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
(2S,4S)-2-acetamido-4-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-5-methylhexanoic acid;(2R,4R)-2-acetamido-4-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-5-methylhexanoic acid
CID 159628111

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide?
The IUPAC name of (2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide (CID 154511678) is (2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide.
What is the SMILES notation for (2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide?
The canonical SMILES for (2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide is COCCCOc1cc(CCCCCC[C@@H](C)C(=O)NCCNC(C)=O)ccc1OC.
What is the InChIKey of (2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide?
The InChIKey is GVIXPMCSXHVBRV-LJQANCHMSA-N. The full InChI is InChI=1S/C24H40N2O5/c1-19(24(28)26-15-14-25-20(2)27)10-7-5-6-8-11-21-12-13-22(30-4)23(18-21)31-17-9-16-29-3/h12-13,18-19H,5-11,14-17H2,1-4H3,(H,25,27)(H,26,28)/t19-/m1/s1.
What are the key properties of (2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide?
(2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide has a molecular weight of 436.59 g/mol, XLogP of 3.49, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide is sourced from PubChem (CID 154511678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).