2-amino-N-[4-(dimethylamino)butan-2-yl]-3,5-dimethoxybenzamide

C15H25N3O3 — CID 115950608

IUPAC2-amino-N-[4-(dimethylamino)butan-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)c(N)c(C(=O)NC(C)CCN(C)C)c1
InChIInChI=1S/C15H25N3O3/c1-10(6-7-18(2)3)17-15(19)12-8-11(20-4)9-13(21-5)14(12)16/h8-10H,6-7,16H2,1-5H3,(H,17,19)
InChIKeyRDBQBAOHVQYDFQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.36
Rot. Bonds7

About 2-amino-N-[4-(dimethylamino)butan-2-yl]-3,5-dimethoxybenzamide

2-amino-N-[4-(dimethylamino)butan-2-yl]-3,5-dimethoxybenzamide (PubChem CID 115950608) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-amino-N-[4-(dimethylamino)butan-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[4-(dimethylamino)butan-2-yl]-3,5-dimethoxybenzamide
PubChem CID115950608
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-amino-N-[4-(dimethylamino)butan-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)c(N)c(C(=O)NC(C)CCN(C)C)c1
InChIInChI=1S/C15H25N3O3/c1-10(6-7-18(2)3)17-15(19)12-8-11(20-4)9-13(21-5)14(12)16/h8-10H,6-7,16H2,1-5H3,(H,17,19)
InChIKeyRDBQBAOHVQYDFQ-UHFFFAOYSA-N
XLogP1.36
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5-hydroxypentan-2-yl)-3,5-dimethoxybenzamide
CID 115950760
2-amino-3,5-dimethoxy-N-(3-methylpentan-2-yl)benzamide
CID 115950600
2-amino-3,5-dimethoxy-N-(2-methylpentan-3-yl)benzamide
CID 115950603
2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 112606081
2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
CID 112606170
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide
CID 115950742
2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide
CID 114266909
2-amino-3,5-dimethoxy-N-(3-methylpentan-3-yl)benzamide
CID 106327779
2-amino-N-butyl-3,5-dimethoxybenzamide
CID 112606080
2-amino-3,5-dimethoxy-N,N-dipropylbenzamide
CID 115950412
4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 82833362

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(dimethylamino)butan-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N-[4-(dimethylamino)butan-2-yl]-3,5-dimethoxybenzamide (CID 115950608) is 2-amino-N-[4-(dimethylamino)butan-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N-[4-(dimethylamino)butan-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N-[4-(dimethylamino)butan-2-yl]-3,5-dimethoxybenzamide is COc1cc(OC)c(N)c(C(=O)NC(C)CCN(C)C)c1.
What is the InChIKey of 2-amino-N-[4-(dimethylamino)butan-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is RDBQBAOHVQYDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10(6-7-18(2)3)17-15(19)12-8-11(20-4)9-13(21-5)14(12)16/h8-10H,6-7,16H2,1-5H3,(H,17,19).
What are the key properties of 2-amino-N-[4-(dimethylamino)butan-2-yl]-3,5-dimethoxybenzamide?
2-amino-N-[4-(dimethylamino)butan-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 295.38 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(dimethylamino)butan-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 115950608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).