6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide

C15H23ClN2O2 — CID 43712013

IUPAC6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide
SMILESCC(C)Oc1ccc(NC(=O)CCCCCN)cc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-11(2)20-14-8-7-12(10-13(14)16)18-15(19)6-4-3-5-9-17/h7-8,10-11H,3-6,9,17H2,1-2H3,(H,18,19)
InChIKeyDFMFRHRFGRNVHI-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.58
Rot. Bonds8

About 6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide

6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide (PubChem CID 43712013) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide
PubChem CID43712013
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide
SMILESCC(C)Oc1ccc(NC(=O)CCCCCN)cc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-11(2)20-14-8-7-12(10-13(14)16)18-15(19)6-4-3-5-9-17/h7-8,10-11H,3-6,9,17H2,1-2H3,(H,18,19)
InChIKeyDFMFRHRFGRNVHI-UHFFFAOYSA-N
XLogP3.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.58
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

5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide
CID 107908992
N-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide
CID 60840814
3-(3-chloro-4-propan-2-yloxyanilino)-3-oxopropanoic acid
CID 62231321
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
5-(6-aminohexanoylamino)-2-chlorobenzamide
CID 43707251
5-(6-aminohexanoylamino)-2-chlorobenzoic acid
CID 43714090
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
CID 119714847
(2S)-2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)butanamide
CID 79024527
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 61258739
7-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]heptanamide
CID 119790101
4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride
CID 119262031

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide?
The IUPAC name of 6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide (CID 43712013) is 6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide.
What is the SMILES notation for 6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide?
The canonical SMILES for 6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide is CC(C)Oc1ccc(NC(=O)CCCCCN)cc1Cl.
What is the InChIKey of 6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide?
The InChIKey is DFMFRHRFGRNVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-11(2)20-14-8-7-12(10-13(14)16)18-15(19)6-4-3-5-9-17/h7-8,10-11H,3-6,9,17H2,1-2H3,(H,18,19).
What are the key properties of 6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide?
6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide has a molecular weight of 298.81 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide is sourced from PubChem (CID 43712013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).