N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide

C14H21ClN2O2 — CID 119725461

IUPACN-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC(C)Oc1ccccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-11(10-17-14(18)8-5-9-16-2)19-13-7-4-3-6-12(13)15/h3-4,6-7,11,16H,5,8-10H2,1-2H3,(H,17,18)
InChIKeyXLTKPRSMIABUPK-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.22
Rot. Bonds8

About N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide

N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide (PubChem CID 119725461) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide
PubChem CID119725461
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC(C)Oc1ccccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-11(10-17-14(18)8-5-9-16-2)19-13-7-4-3-6-12(13)15/h3-4,6-7,11,16H,5,8-10H2,1-2H3,(H,17,18)
InChIKeyXLTKPRSMIABUPK-UHFFFAOYSA-N
XLogP2.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431400
N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide
CID 119804736
3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide
CID 119340532
N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide
CID 119813227
3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82108960
N-[2-(2-fluorophenoxy)butyl]-4-(methylamino)butanamide;hydrochloride
CID 119813320
4-(2-chlorophenoxy)pentanehydrazide
CID 63574443
2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide
CID 82110113
4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120654441
N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725486
3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119335768
N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide
CID 119499643

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide?
The IUPAC name of N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide (CID 119725461) is N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide is CNCCCC(=O)NCC(C)Oc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide?
The InChIKey is XLTKPRSMIABUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-11(10-17-14(18)8-5-9-16-2)19-13-7-4-3-6-12(13)15/h3-4,6-7,11,16H,5,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide?
N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide has a molecular weight of 284.79 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119725461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).