6-amino-N-[(2S)-1,3-dihydroxybutan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]decanamide

C34H46N2O4 — CID 66729563

IUPAC6-amino-N-[(2S)-1,3-dihydroxybutan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]decanamide
SMILESCCCCC(N)CCCCC(=O)N([C@@H](CO)C(C)O)C(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C34H46N2O4/c1-4-5-18-30(35)19-12-13-20-33(39)36(32(25-37)26(2)38)34(27-14-8-6-9-15-27,28-16-10-7-11-17-28)29-21-23-31(40-3)24-22-29/h6-11,14-17,21-24,26,30,32,37-38H,4-5,12-13,18-20,25,35H2,1-3H3/t26?,30?,32-/m0/s1
InChIKeyWLIZXBJTIDFKIG-KRGRXRNDSA-N
MW546.75 g/mol
LogP5.64
Rot. Bonds16

About 6-amino-N-[(2S)-1,3-dihydroxybutan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]decanamide

6-amino-N-[(2S)-1,3-dihydroxybutan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]decanamide (PubChem CID 66729563) has the molecular formula C34H46N2O4 and a molecular weight of 546.75 g/mol. Its IUPAC name is 6-amino-N-[(2S)-1,3-dihydroxybutan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]decanamide.

Molecular Properties

Compound Name6-amino-N-[(2S)-1,3-dihydroxybutan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]decanamide
PubChem CID66729563
Molecular FormulaC34H46N2O4
Molecular Weight546.75 g/mol
Exact Mass546.35
IUPAC Name6-amino-N-[(2S)-1,3-dihydroxybutan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]decanamide
SMILESCCCCC(N)CCCCC(=O)N([C@@H](CO)C(C)O)C(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C34H46N2O4/c1-4-5-18-30(35)19-12-13-20-33(39)36(32(25-37)26(2)38)34(27-14-8-6-9-15-27,28-16-10-7-11-17-28)29-21-23-31(40-3)24-22-29/h6-11,14-17,21-24,26,30,32,37-38H,4-5,12-13,18-20,25,35H2,1-3H3/t26?,30?,32-/m0/s1
InChIKeyWLIZXBJTIDFKIG-KRGRXRNDSA-N
XLogP5.64
TPSA96.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.75
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminoethyl)-N-(3-phenylpentan-3-yl)octadecanamide;hydrochloride
CID 174806402
7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide
CID 99792882
1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol
CID 143649283
[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl] octadecanoate
CID 11115011
[1-[bis(4-methoxyphenyl)-phenylmethoxy]-7-hydroxyundecan-6-yl] acetate
CID 162096764
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
anisole;hexadecan-2-one
CID 167511071
3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)nonan-2-ol
CID 118588929
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
(E)-1-[bis(4-methoxyphenyl)-phenylmethoxy]icos-11-en-3-ol
CID 68745223
anisole;ethyl 2-methylpropanoate
CID 177064087

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2S)-1,3-dihydroxybutan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]decanamide?
The IUPAC name of 6-amino-N-[(2S)-1,3-dihydroxybutan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]decanamide (CID 66729563) is 6-amino-N-[(2S)-1,3-dihydroxybutan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]decanamide.
What is the SMILES notation for 6-amino-N-[(2S)-1,3-dihydroxybutan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]decanamide?
The canonical SMILES for 6-amino-N-[(2S)-1,3-dihydroxybutan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]decanamide is CCCCC(N)CCCCC(=O)N([C@@H](CO)C(C)O)C(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 6-amino-N-[(2S)-1,3-dihydroxybutan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]decanamide?
The InChIKey is WLIZXBJTIDFKIG-KRGRXRNDSA-N. The full InChI is InChI=1S/C34H46N2O4/c1-4-5-18-30(35)19-12-13-20-33(39)36(32(25-37)26(2)38)34(27-14-8-6-9-15-27,28-16-10-7-11-17-28)29-21-23-31(40-3)24-22-29/h6-11,14-17,21-24,26,30,32,37-38H,4-5,12-13,18-20,25,35H2,1-3H3/t26?,30?,32-/m0/s1.
What are the key properties of 6-amino-N-[(2S)-1,3-dihydroxybutan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]decanamide?
6-amino-N-[(2S)-1,3-dihydroxybutan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]decanamide has a molecular weight of 546.75 g/mol, XLogP of 5.64, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2S)-1,3-dihydroxybutan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]decanamide is sourced from PubChem (CID 66729563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).