2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide

C15H25N3O3 — CID 63695458

IUPAC2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(N)c(C(=O)N(C)CCCN(C)C)cc1OC
InChIInChI=1S/C15H25N3O3/c1-17(2)7-6-8-18(3)15(19)11-9-13(20-4)14(21-5)10-12(11)16/h9-10H,6-8,16H2,1-5H3
InChIKeyXDWPYEAWRYNCII-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.31
Rot. Bonds7

About 2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide

2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide (PubChem CID 63695458) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide
PubChem CID63695458
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(N)c(C(=O)N(C)CCCN(C)C)cc1OC
InChIInChI=1S/C15H25N3O3/c1-17(2)7-6-8-18(3)15(19)11-9-13(20-4)14(21-5)10-12(11)16/h9-10H,6-8,16H2,1-5H3
InChIKeyXDWPYEAWRYNCII-UHFFFAOYSA-N
XLogP1.31
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,5-dimethoxy-N-methylbenzohydrazide
CID 145124941
5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide
CID 63693725
2-amino-N,N-diethyl-4,5-dimethoxybenzamide
CID 16776188
3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide
CID 81092304
N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63699177
2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 43526528
2-amino-4-methoxy-N-methyl-N-pentylbenzamide
CID 113305128
5-amino-2-methoxy-N-methyl-N-pentylbenzamide
CID 61093600
2-amino-4,5-dimethoxy-N,N-bis(prop-2-enyl)benzamide
CID 61118260
N-butyl-2-methoxy-N,4,5-trimethylbenzamide
CID 110761549
2-amino-N-cyclopropyl-N-ethyl-4,5-dimethoxybenzamide
CID 43263713
4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide
CID 55228118

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide (CID 63695458) is 2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide is COc1cc(N)c(C(=O)N(C)CCCN(C)C)cc1OC.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide?
The InChIKey is XDWPYEAWRYNCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-17(2)7-6-8-18(3)15(19)11-9-13(20-4)14(21-5)10-12(11)16/h9-10H,6-8,16H2,1-5H3.
What are the key properties of 2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide?
2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide has a molecular weight of 295.38 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 63695458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).