4-amino-3-methoxy-N,N-dipropylbenzamide

C14H22N2O2 — CID 104782274

IUPAC4-amino-3-methoxy-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C14H22N2O2/c1-4-8-16(9-5-2)14(17)11-6-7-12(15)13(10-11)18-3/h6-7,10H,4-5,8-9,15H2,1-3H3
InChIKeyIRXKKLYHZHWPFJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.54
Rot. Bonds6

About 4-amino-3-methoxy-N,N-dipropylbenzamide

4-amino-3-methoxy-N,N-dipropylbenzamide (PubChem CID 104782274) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-3-methoxy-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N,N-dipropylbenzamide
PubChem CID104782274
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-3-methoxy-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C14H22N2O2/c1-4-8-16(9-5-2)14(17)11-6-7-12(15)13(10-11)18-3/h6-7,10H,4-5,8-9,15H2,1-3H3
InChIKeyIRXKKLYHZHWPFJ-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(4-amino-3-methoxybenzoyl)-propylamino]acetate
CID 104782582
4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide
CID 104782930
4-amino-3-hydroxy-N,N-dipropylbenzamide
CID 22411148
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide
CID 110416415
3-amino-4-ethoxy-N-ethyl-N-propylbenzamide
CID 61094577
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 79725829
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide
CID 104782607
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide
CID 116628476
N-(2-bromoethyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 80660405

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N,N-dipropylbenzamide?
The IUPAC name of 4-amino-3-methoxy-N,N-dipropylbenzamide (CID 104782274) is 4-amino-3-methoxy-N,N-dipropylbenzamide.
What is the SMILES notation for 4-amino-3-methoxy-N,N-dipropylbenzamide?
The canonical SMILES for 4-amino-3-methoxy-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of 4-amino-3-methoxy-N,N-dipropylbenzamide?
The InChIKey is IRXKKLYHZHWPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-8-16(9-5-2)14(17)11-6-7-12(15)13(10-11)18-3/h6-7,10H,4-5,8-9,15H2,1-3H3.
What are the key properties of 4-amino-3-methoxy-N,N-dipropylbenzamide?
4-amino-3-methoxy-N,N-dipropylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N,N-dipropylbenzamide is sourced from PubChem (CID 104782274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).