N-[5-amino-2-(dimethylamino)phenyl]-4-propoxybenzamide

C18H23N3O2 — CID 91676031

IUPACN-[5-amino-2-(dimethylamino)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cc(N)ccc2N(C)C)cc1
InChIInChI=1S/C18H23N3O2/c1-4-11-23-15-8-5-13(6-9-15)18(22)20-16-12-14(19)7-10-17(16)21(2)3/h5-10,12H,4,11,19H2,1-3H3,(H,20,22)
InChIKeyAZPUUIOUHLUHRI-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.38
Rot. Bonds6

About N-[5-amino-2-(dimethylamino)phenyl]-4-propoxybenzamide

N-[5-amino-2-(dimethylamino)phenyl]-4-propoxybenzamide (PubChem CID 91676031) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[5-amino-2-(dimethylamino)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[5-amino-2-(dimethylamino)phenyl]-4-propoxybenzamide
PubChem CID91676031
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[5-amino-2-(dimethylamino)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cc(N)ccc2N(C)C)cc1
InChIInChI=1S/C18H23N3O2/c1-4-11-23-15-8-5-13(6-9-15)18(22)20-16-12-14(19)7-10-17(16)21(2)3/h5-10,12H,4,11,19H2,1-3H3,(H,20,22)
InChIKeyAZPUUIOUHLUHRI-UHFFFAOYSA-N
XLogP3.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-chlorophenyl)-4-propoxybenzamide
CID 100829816
N-(5-amino-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide
CID 22291090
N-(2-amino-4-chlorophenyl)-4-propoxybenzamide
CID 91687642
N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide
CID 54852579
N-(4-amino-2-methoxyphenyl)-4-(2-ethoxyethoxy)benzamide
CID 54852698
4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide
CID 4939588
ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate
CID 92680844
N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide
CID 120569287
N,N-dimethyl-2-[(4-propoxybenzoyl)amino]benzamide
CID 4938525
N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide
CID 8863043
N-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide
CID 91675984
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(dimethylamino)phenyl]-4-propoxybenzamide?
The IUPAC name of N-[5-amino-2-(dimethylamino)phenyl]-4-propoxybenzamide (CID 91676031) is N-[5-amino-2-(dimethylamino)phenyl]-4-propoxybenzamide.
What is the SMILES notation for N-[5-amino-2-(dimethylamino)phenyl]-4-propoxybenzamide?
The canonical SMILES for N-[5-amino-2-(dimethylamino)phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cc(N)ccc2N(C)C)cc1.
What is the InChIKey of N-[5-amino-2-(dimethylamino)phenyl]-4-propoxybenzamide?
The InChIKey is AZPUUIOUHLUHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-11-23-15-8-5-13(6-9-15)18(22)20-16-12-14(19)7-10-17(16)21(2)3/h5-10,12H,4,11,19H2,1-3H3,(H,20,22).
What are the key properties of N-[5-amino-2-(dimethylamino)phenyl]-4-propoxybenzamide?
N-[5-amino-2-(dimethylamino)phenyl]-4-propoxybenzamide has a molecular weight of 313.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(dimethylamino)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 91676031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).