N-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropyl]-7-methyloct-4-enamide

C19H29NO2 — CID 54139029

IUPACN-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropyl]-7-methyloct-4-enamide
SMILESCC(C)CC=CCCC(=O)NC[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C19H29NO2/c1-15(2)10-6-4-9-13-18(21)20-14-16(3)19(22)17-11-7-5-8-12-17/h4-8,11-12,15-16,19,22H,9-10,13-14H2,1-3H3,(H,20,21)/t16-,19-/m1/s1
InChIKeyNZTPMCAITDYFLX-VQIMIIECSA-N
MW303.45 g/mol
LogP3.85
Rot. Bonds9

About N-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropyl]-7-methyloct-4-enamide

N-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropyl]-7-methyloct-4-enamide (PubChem CID 54139029) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropyl]-7-methyloct-4-enamide.

Molecular Properties

Compound NameN-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropyl]-7-methyloct-4-enamide
PubChem CID54139029
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropyl]-7-methyloct-4-enamide
SMILESCC(C)CC=CCCC(=O)NC[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C19H29NO2/c1-15(2)10-6-4-9-13-18(21)20-14-16(3)19(22)17-11-7-5-8-12-17/h4-8,11-12,15-16,19,22H,9-10,13-14H2,1-3H3,(H,20,21)/t16-,19-/m1/s1
InChIKeyNZTPMCAITDYFLX-VQIMIIECSA-N
XLogP3.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide
CID 67678172
3-(4-methylpentanoylamino)-2-phenylpropanoic acid
CID 62883511
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide
CID 74954423
(Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide
CID 70372311
(2R)-3-(pent-4-enoylamino)-2-phenylpropanoic acid
CID 94888525
3-amino-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43500072
6,7-dihydroxy-7-phenylhept-3-en-2-one
CID 142690833
N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
CID 93032888
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
3-acetamido-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide
CID 110355080
(4Z,7Z,10Z,13Z)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylheptadeca-4,7,10,13-tetraenamide
CID 145483279

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropyl]-7-methyloct-4-enamide?
The IUPAC name of N-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropyl]-7-methyloct-4-enamide (CID 54139029) is N-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropyl]-7-methyloct-4-enamide.
What is the SMILES notation for N-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropyl]-7-methyloct-4-enamide?
The canonical SMILES for N-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropyl]-7-methyloct-4-enamide is CC(C)CC=CCCC(=O)NC[C@@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of N-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropyl]-7-methyloct-4-enamide?
The InChIKey is NZTPMCAITDYFLX-VQIMIIECSA-N. The full InChI is InChI=1S/C19H29NO2/c1-15(2)10-6-4-9-13-18(21)20-14-16(3)19(22)17-11-7-5-8-12-17/h4-8,11-12,15-16,19,22H,9-10,13-14H2,1-3H3,(H,20,21)/t16-,19-/m1/s1.
What are the key properties of N-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropyl]-7-methyloct-4-enamide?
N-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropyl]-7-methyloct-4-enamide has a molecular weight of 303.45 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropyl]-7-methyloct-4-enamide is sourced from PubChem (CID 54139029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).