N-[(4R,7S)-8-methyl-4-(2-methylpropanoyl)-6-oxo-7-(propan-2-ylamino)nonyl]acetamide

C19H36N2O3 — CID 148994203

IUPACN-[(4R,7S)-8-methyl-4-(2-methylpropanoyl)-6-oxo-7-(propan-2-ylamino)nonyl]acetamide
SMILESCC(=O)NCCC[C@H](CC(=O)[C@@H](NC(C)C)C(C)C)C(=O)C(C)C
InChIInChI=1S/C19H36N2O3/c1-12(2)18(21-14(5)6)17(23)11-16(19(24)13(3)4)9-8-10-20-15(7)22/h12-14,16,18,21H,8-11H2,1-7H3,(H,20,22)/t16-,18+/m1/s1
InChIKeyPYHAYDYIXNCKEI-AEFFLSMTSA-N
MW340.51 g/mol
LogP2.73
Rot. Bonds12

About N-[(4R,7S)-8-methyl-4-(2-methylpropanoyl)-6-oxo-7-(propan-2-ylamino)nonyl]acetamide

N-[(4R,7S)-8-methyl-4-(2-methylpropanoyl)-6-oxo-7-(propan-2-ylamino)nonyl]acetamide (PubChem CID 148994203) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is N-[(4R,7S)-8-methyl-4-(2-methylpropanoyl)-6-oxo-7-(propan-2-ylamino)nonyl]acetamide.

Molecular Properties

Compound NameN-[(4R,7S)-8-methyl-4-(2-methylpropanoyl)-6-oxo-7-(propan-2-ylamino)nonyl]acetamide
PubChem CID148994203
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC NameN-[(4R,7S)-8-methyl-4-(2-methylpropanoyl)-6-oxo-7-(propan-2-ylamino)nonyl]acetamide
SMILESCC(=O)NCCC[C@H](CC(=O)[C@@H](NC(C)C)C(C)C)C(=O)C(C)C
InChIInChI=1S/C19H36N2O3/c1-12(2)18(21-14(5)6)17(23)11-16(19(24)13(3)4)9-8-10-20-15(7)22/h12-14,16,18,21H,8-11H2,1-7H3,(H,20,22)/t16-,18+/m1/s1
InChIKeyPYHAYDYIXNCKEI-AEFFLSMTSA-N
XLogP2.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4S,7R)-8-methyl-4-(2-methylpropanoyl)-6-oxo-7-(propan-2-ylamino)nonyl]acetamide
CID 148994204
propan-2-yl N-[2-[[(2R)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxo-5-(propan-2-ylamino)heptanoyl]amino]ethyl]-N-methylcarbamate
CID 158712040
(2R)-N-[(4R)-1-(carbamoylamino)-6-methyl-5-oxoheptan-4-yl]-3-methyl-2-(propan-2-ylamino)butanamide
CID 154980071
N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide
CID 134583654
N-[(5R)-8-methyl-7-oxo-5-[(propan-2-ylamino)methyl]nonyl]acetamide
CID 177080596
(4R,7S)-4-[3-(1-aminoethenylamino)propyl]-8-hydroxy-2-methyl-7-(propan-2-ylamino)nonane-3,6-dione;methane;(2S,5R)-7-methyl-5-pentyl-1-phenyl-2-(propan-2-ylamino)octane-3,6-dione
CID 167700638
2-(3-acetamidopropyl)dodecanoic acid
CID 21259261
N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8-dimethyl-4,7-dioxononan-3-yl]-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
CID 158806489
(7S)-2-methyl-7,11-bis(methylamino)-4-[4-(methylamino)butyl]undecane-3,6-dione
CID 163648641
2-(3-acetamidopropyl)dodecanoate
CID 21259260
(2R)-5-acetamido-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide
CID 158648208
N-[1-(carbamoylamino)-5-oxoheptan-4-yl]-3-methyl-2-(propan-2-ylamino)butanamide;ethane
CID 178154485

Frequently Asked Questions

What is the IUPAC name of N-[(4R,7S)-8-methyl-4-(2-methylpropanoyl)-6-oxo-7-(propan-2-ylamino)nonyl]acetamide?
The IUPAC name of N-[(4R,7S)-8-methyl-4-(2-methylpropanoyl)-6-oxo-7-(propan-2-ylamino)nonyl]acetamide (CID 148994203) is N-[(4R,7S)-8-methyl-4-(2-methylpropanoyl)-6-oxo-7-(propan-2-ylamino)nonyl]acetamide.
What is the SMILES notation for N-[(4R,7S)-8-methyl-4-(2-methylpropanoyl)-6-oxo-7-(propan-2-ylamino)nonyl]acetamide?
The canonical SMILES for N-[(4R,7S)-8-methyl-4-(2-methylpropanoyl)-6-oxo-7-(propan-2-ylamino)nonyl]acetamide is CC(=O)NCCC[C@H](CC(=O)[C@@H](NC(C)C)C(C)C)C(=O)C(C)C.
What is the InChIKey of N-[(4R,7S)-8-methyl-4-(2-methylpropanoyl)-6-oxo-7-(propan-2-ylamino)nonyl]acetamide?
The InChIKey is PYHAYDYIXNCKEI-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H36N2O3/c1-12(2)18(21-14(5)6)17(23)11-16(19(24)13(3)4)9-8-10-20-15(7)22/h12-14,16,18,21H,8-11H2,1-7H3,(H,20,22)/t16-,18+/m1/s1.
What are the key properties of N-[(4R,7S)-8-methyl-4-(2-methylpropanoyl)-6-oxo-7-(propan-2-ylamino)nonyl]acetamide?
N-[(4R,7S)-8-methyl-4-(2-methylpropanoyl)-6-oxo-7-(propan-2-ylamino)nonyl]acetamide has a molecular weight of 340.51 g/mol, XLogP of 2.73, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,7S)-8-methyl-4-(2-methylpropanoyl)-6-oxo-7-(propan-2-ylamino)nonyl]acetamide is sourced from PubChem (CID 148994203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).