2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide

C16H25ClN2O2 — CID 119813247

IUPAC2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide
SMILESCCC(CNC(=O)C(N)C(C)CC)Oc1ccccc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-4-11(3)15(18)16(20)19-10-12(5-2)21-14-9-7-6-8-13(14)17/h6-9,11-12,15H,4-5,10,18H2,1-3H3,(H,19,20)
InChIKeyWIXARKWDOTWOED-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.99
Rot. Bonds8

About 2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide

2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide (PubChem CID 119813247) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide
PubChem CID119813247
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide
SMILESCCC(CNC(=O)C(N)C(C)CC)Oc1ccccc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-4-11(3)15(18)16(20)19-10-12(5-2)21-14-9-7-6-8-13(14)17/h6-9,11-12,15H,4-5,10,18H2,1-3H3,(H,19,20)
InChIKeyWIXARKWDOTWOED-UHFFFAOYSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836600
3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide
CID 119340532
2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957708
N-[2-(2-chlorophenoxy)butyl]prop-2-enamide
CID 146089833
N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide
CID 119813227
4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride
CID 120593905
3-(2-chlorophenoxy)pentanoic acid
CID 114990652
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride
CID 119340588
(2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide
CID 103292466
2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride
CID 119804711
(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
CID 61251907
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide (CID 119813247) is 2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide is CCC(CNC(=O)C(N)C(C)CC)Oc1ccccc1Cl.
What is the InChIKey of 2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide?
The InChIKey is WIXARKWDOTWOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-4-11(3)15(18)16(20)19-10-12(5-2)21-14-9-7-6-8-13(14)17/h6-9,11-12,15H,4-5,10,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide?
2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide has a molecular weight of 312.84 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide is sourced from PubChem (CID 119813247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).