N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide

C17H28N2O — CID 43206504

IUPACN-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(C)CCC(C)C)c1
InChIInChI=1S/C17H28N2O/c1-12(2)9-10-13(3)18-14(4)16-7-6-8-17(11-16)19-15(5)20/h6-8,11-14,18H,9-10H2,1-5H3,(H,19,20)
InChIKeySWHDADJJULLLLJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.12
Rot. Bonds7

About N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide

N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide (PubChem CID 43206504) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide
PubChem CID43206504
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(C)CCC(C)C)c1
InChIInChI=1S/C17H28N2O/c1-12(2)9-10-13(3)18-14(4)16-7-6-8-17(11-16)19-15(5)20/h6-8,11-14,18H,9-10H2,1-5H3,(H,19,20)
InChIKeySWHDADJJULLLLJ-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[3-[1-(1-cyclopropylpropylamino)ethyl]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide (CID 43206504) is N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NC(C)CCC(C)C)c1.
What is the InChIKey of N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide?
The InChIKey is SWHDADJJULLLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)9-10-13(3)18-14(4)16-7-6-8-17(11-16)19-15(5)20/h6-8,11-14,18H,9-10H2,1-5H3,(H,19,20).
What are the key properties of N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide?
N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide has a molecular weight of 276.42 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 43206504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).