5-amino-2-(dimethylamino)-N-(1,4-dioxan-2-ylmethyl)benzamide

C14H21N3O3 — CID 61102161

IUPAC5-amino-2-(dimethylamino)-N-(1,4-dioxan-2-ylmethyl)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)NCC1COCCO1
InChIInChI=1S/C14H21N3O3/c1-17(2)13-4-3-10(15)7-12(13)14(18)16-8-11-9-19-5-6-20-11/h3-4,7,11H,5-6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyPZZFERCYSPCGKF-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.48
Rot. Bonds4

About 5-amino-2-(dimethylamino)-N-(1,4-dioxan-2-ylmethyl)benzamide

5-amino-2-(dimethylamino)-N-(1,4-dioxan-2-ylmethyl)benzamide (PubChem CID 61102161) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-(1,4-dioxan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-(1,4-dioxan-2-ylmethyl)benzamide
PubChem CID61102161
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-amino-2-(dimethylamino)-N-(1,4-dioxan-2-ylmethyl)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)NCC1COCCO1
InChIInChI=1S/C14H21N3O3/c1-17(2)13-4-3-10(15)7-12(13)14(18)16-8-11-9-19-5-6-20-11/h3-4,7,11H,5-6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyPZZFERCYSPCGKF-UHFFFAOYSA-N
XLogP0.48
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1,4-dioxan-2-ylmethyl)-2,4-dimethylbenzamide;ethane
CID 178150014
N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide
CID 62509083
2-(3-aminophenyl)-N-(1,4-dioxan-2-ylmethyl)acetamide
CID 55083536
N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908963
N-(1,4-dioxan-2-ylmethyl)-3-hydroxy-2-methylbenzamide
CID 82829560
5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80583509
N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide
CID 62510212
4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908530
5-amino-2-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 120624842
2-[2-[[(2R)-1,4-dioxan-2-yl]methylcarbamoyl]phenyl]benzoic acid
CID 125120548
N-(1,4-dioxan-2-ylmethyl)-3,4-dihydroxybenzamide
CID 113358419
5-amino-2-(dimethylamino)-N-hexylbenzamide
CID 61112107

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-(1,4-dioxan-2-ylmethyl)benzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-(1,4-dioxan-2-ylmethyl)benzamide (CID 61102161) is 5-amino-2-(dimethylamino)-N-(1,4-dioxan-2-ylmethyl)benzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-(1,4-dioxan-2-ylmethyl)benzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-(1,4-dioxan-2-ylmethyl)benzamide is CN(C)c1ccc(N)cc1C(=O)NCC1COCCO1.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-(1,4-dioxan-2-ylmethyl)benzamide?
The InChIKey is PZZFERCYSPCGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17(2)13-4-3-10(15)7-12(13)14(18)16-8-11-9-19-5-6-20-11/h3-4,7,11H,5-6,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-2-(dimethylamino)-N-(1,4-dioxan-2-ylmethyl)benzamide?
5-amino-2-(dimethylamino)-N-(1,4-dioxan-2-ylmethyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-(1,4-dioxan-2-ylmethyl)benzamide is sourced from PubChem (CID 61102161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).