N-[(3S)-5-ethyl-2-methylnonan-3-yl]-3-methylbutanamide

C17H35NO — CID 145273522

IUPACN-[(3S)-5-ethyl-2-methylnonan-3-yl]-3-methylbutanamide
SMILESCCCCC(CC)C[C@H](NC(=O)CC(C)C)C(C)C
InChIInChI=1S/C17H35NO/c1-7-9-10-15(8-2)12-16(14(5)6)18-17(19)11-13(3)4/h13-16H,7-12H2,1-6H3,(H,18,19)/t15?,16-/m0/s1
InChIKeyCUXFNBCZVNXUHJ-LYKKTTPLSA-N
MW269.47 g/mol
LogP4.78
Rot. Bonds10

About N-[(3S)-5-ethyl-2-methylnonan-3-yl]-3-methylbutanamide

N-[(3S)-5-ethyl-2-methylnonan-3-yl]-3-methylbutanamide (PubChem CID 145273522) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-[(3S)-5-ethyl-2-methylnonan-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(3S)-5-ethyl-2-methylnonan-3-yl]-3-methylbutanamide
PubChem CID145273522
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-[(3S)-5-ethyl-2-methylnonan-3-yl]-3-methylbutanamide
SMILESCCCCC(CC)C[C@H](NC(=O)CC(C)C)C(C)C
InChIInChI=1S/C17H35NO/c1-7-9-10-15(8-2)12-16(14(5)6)18-17(19)11-13(3)4/h13-16H,7-12H2,1-6H3,(H,18,19)/t15?,16-/m0/s1
InChIKeyCUXFNBCZVNXUHJ-LYKKTTPLSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 90867024
(2S)-2-(3-ethylheptanoylamino)propanoic acid
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N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703
N-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride
CID 120506388
(2S)-N-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]hexanamide
CID 58057427
2-ethylhexyl 4-ethyl-2-methyloctanoate
CID 150137070
3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide
CID 106349751
2-(2-ethylhexylamino)-N-(2-methylpropyl)acetamide
CID 112683030
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
(2R,4S)-4-ethyloctan-2-ol
CID 7015159
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
3-methyl-N-(2-oxopentan-3-yl)butanamide
CID 178112786

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-ethyl-2-methylnonan-3-yl]-3-methylbutanamide?
The IUPAC name of N-[(3S)-5-ethyl-2-methylnonan-3-yl]-3-methylbutanamide (CID 145273522) is N-[(3S)-5-ethyl-2-methylnonan-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[(3S)-5-ethyl-2-methylnonan-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[(3S)-5-ethyl-2-methylnonan-3-yl]-3-methylbutanamide is CCCCC(CC)C[C@H](NC(=O)CC(C)C)C(C)C.
What is the InChIKey of N-[(3S)-5-ethyl-2-methylnonan-3-yl]-3-methylbutanamide?
The InChIKey is CUXFNBCZVNXUHJ-LYKKTTPLSA-N. The full InChI is InChI=1S/C17H35NO/c1-7-9-10-15(8-2)12-16(14(5)6)18-17(19)11-13(3)4/h13-16H,7-12H2,1-6H3,(H,18,19)/t15?,16-/m0/s1.
What are the key properties of N-[(3S)-5-ethyl-2-methylnonan-3-yl]-3-methylbutanamide?
N-[(3S)-5-ethyl-2-methylnonan-3-yl]-3-methylbutanamide has a molecular weight of 269.47 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-ethyl-2-methylnonan-3-yl]-3-methylbutanamide is sourced from PubChem (CID 145273522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).