N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide

C14H21ClN2O2 — CID 119499643

IUPACN-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide
SMILESCC(N)CCNC(=O)CCCOc1ccccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-11(16)8-9-17-14(18)7-4-10-19-13-6-3-2-5-12(13)15/h2-3,5-6,11H,4,7-10,16H2,1H3,(H,17,18)
InChIKeyQMVPULDITLDREY-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.35
Rot. Bonds8

About N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide

N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide (PubChem CID 119499643) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide
PubChem CID119499643
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide
SMILESCC(N)CCNC(=O)CCCOc1ccccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-11(16)8-9-17-14(18)7-4-10-19-13-6-3-2-5-12(13)15/h2-3,5-6,11H,4,7-10,16H2,1H3,(H,17,18)
InChIKeyQMVPULDITLDREY-UHFFFAOYSA-N
XLogP2.35
TPSA64.35 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 ≤ 52.35
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

3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861871
N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119498285
4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide
CID 108573011
4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120654441
4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride
CID 120561480
N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119383062
N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119588775
3-(2-chlorophenoxy)-N-decylpropanamide
CID 108789478
4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide
CID 94821455
3-[3-(2-chlorophenoxy)propanoylamino]-2-methylpropanoic acid
CID 62676014
N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119668746
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide?
The IUPAC name of N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide (CID 119499643) is N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide.
What is the SMILES notation for N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide?
The canonical SMILES for N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide is CC(N)CCNC(=O)CCCOc1ccccc1Cl.
What is the InChIKey of N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide?
The InChIKey is QMVPULDITLDREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-11(16)8-9-17-14(18)7-4-10-19-13-6-3-2-5-12(13)15/h2-3,5-6,11H,4,7-10,16H2,1H3,(H,17,18).
What are the key properties of N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide?
N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide has a molecular weight of 284.79 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide is sourced from PubChem (CID 119499643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).