(5R)-7-[ethyl(hydroxy)amino]-5-[[(3R)-3-ethyl-6-methylcyclohexa-1,5-dien-1-yl]methyl]-5-hydroxyheptanamide

C19H34N2O3 — CID 163966940

IUPAC(5R)-7-[ethyl(hydroxy)amino]-5-[[(3R)-3-ethyl-6-methylcyclohexa-1,5-dien-1-yl]methyl]-5-hydroxyheptanamide
SMILESCC[C@H]1C=C(C[C@](O)(CCCC(N)=O)CCN(O)CC)C(C)=CC1
InChIInChI=1S/C19H34N2O3/c1-4-16-9-8-15(3)17(13-16)14-19(23,10-6-7-18(20)22)11-12-21(24)5-2/h8,13,16,23-24H,4-7,9-12,14H2,1-3H3,(H2,20,22)/t16-,19+/m1/s1
InChIKeySMPIKUAIQYLVEB-APWZRJJASA-N
MW338.49 g/mol
LogP3.17
Rot. Bonds11

About (5R)-7-[ethyl(hydroxy)amino]-5-[[(3R)-3-ethyl-6-methylcyclohexa-1,5-dien-1-yl]methyl]-5-hydroxyheptanamide

(5R)-7-[ethyl(hydroxy)amino]-5-[[(3R)-3-ethyl-6-methylcyclohexa-1,5-dien-1-yl]methyl]-5-hydroxyheptanamide (PubChem CID 163966940) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is (5R)-7-[ethyl(hydroxy)amino]-5-[[(3R)-3-ethyl-6-methylcyclohexa-1,5-dien-1-yl]methyl]-5-hydroxyheptanamide.

Molecular Properties

Compound Name(5R)-7-[ethyl(hydroxy)amino]-5-[[(3R)-3-ethyl-6-methylcyclohexa-1,5-dien-1-yl]methyl]-5-hydroxyheptanamide
PubChem CID163966940
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Name(5R)-7-[ethyl(hydroxy)amino]-5-[[(3R)-3-ethyl-6-methylcyclohexa-1,5-dien-1-yl]methyl]-5-hydroxyheptanamide
SMILESCC[C@H]1C=C(C[C@](O)(CCCC(N)=O)CCN(O)CC)C(C)=CC1
InChIInChI=1S/C19H34N2O3/c1-4-16-9-8-15(3)17(13-16)14-19(23,10-6-7-18(20)22)11-12-21(24)5-2/h8,13,16,23-24H,4-7,9-12,14H2,1-3H3,(H2,20,22)/t16-,19+/m1/s1
InChIKeySMPIKUAIQYLVEB-APWZRJJASA-N
XLogP3.17
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-[ethyl(hydroxy)amino]-5-[[(3R)-3-ethyl-6-methylcyclohexa-1,5-dien-1-yl]methyl]-5-hydroxyheptanamide?
The IUPAC name of (5R)-7-[ethyl(hydroxy)amino]-5-[[(3R)-3-ethyl-6-methylcyclohexa-1,5-dien-1-yl]methyl]-5-hydroxyheptanamide (CID 163966940) is (5R)-7-[ethyl(hydroxy)amino]-5-[[(3R)-3-ethyl-6-methylcyclohexa-1,5-dien-1-yl]methyl]-5-hydroxyheptanamide.
What is the SMILES notation for (5R)-7-[ethyl(hydroxy)amino]-5-[[(3R)-3-ethyl-6-methylcyclohexa-1,5-dien-1-yl]methyl]-5-hydroxyheptanamide?
The canonical SMILES for (5R)-7-[ethyl(hydroxy)amino]-5-[[(3R)-3-ethyl-6-methylcyclohexa-1,5-dien-1-yl]methyl]-5-hydroxyheptanamide is CC[C@H]1C=C(C[C@](O)(CCCC(N)=O)CCN(O)CC)C(C)=CC1.
What is the InChIKey of (5R)-7-[ethyl(hydroxy)amino]-5-[[(3R)-3-ethyl-6-methylcyclohexa-1,5-dien-1-yl]methyl]-5-hydroxyheptanamide?
The InChIKey is SMPIKUAIQYLVEB-APWZRJJASA-N. The full InChI is InChI=1S/C19H34N2O3/c1-4-16-9-8-15(3)17(13-16)14-19(23,10-6-7-18(20)22)11-12-21(24)5-2/h8,13,16,23-24H,4-7,9-12,14H2,1-3H3,(H2,20,22)/t16-,19+/m1/s1.
What are the key properties of (5R)-7-[ethyl(hydroxy)amino]-5-[[(3R)-3-ethyl-6-methylcyclohexa-1,5-dien-1-yl]methyl]-5-hydroxyheptanamide?
(5R)-7-[ethyl(hydroxy)amino]-5-[[(3R)-3-ethyl-6-methylcyclohexa-1,5-dien-1-yl]methyl]-5-hydroxyheptanamide has a molecular weight of 338.49 g/mol, XLogP of 3.17, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-[ethyl(hydroxy)amino]-5-[[(3R)-3-ethyl-6-methylcyclohexa-1,5-dien-1-yl]methyl]-5-hydroxyheptanamide is sourced from PubChem (CID 163966940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).