3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide

C14H23N3O2 — CID 82990775

IUPAC3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide
SMILESCOCCC(C)Nc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C14H23N3O2/c1-10(7-8-19-4)16-13-6-5-11(9-12(13)15)14(18)17(2)3/h5-6,9-10,16H,7-8,15H2,1-4H3
InChIKeySNMFJGVGKPAGOU-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.81
Rot. Bonds6

About 3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide

3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide (PubChem CID 82990775) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide
PubChem CID82990775
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide
SMILESCOCCC(C)Nc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C14H23N3O2/c1-10(7-8-19-4)16-13-6-5-11(9-12(13)15)14(18)17(2)3/h5-6,9-10,16H,7-8,15H2,1-4H3
InChIKeySNMFJGVGKPAGOU-UHFFFAOYSA-N
XLogP1.81
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
CID 82989916
3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide
CID 82992217
3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide
CID 100619898
3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide
CID 82990505
3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide
CID 133167178
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide
CID 106022696
ethyl 4-amino-3-(4-methoxybutan-2-ylamino)benzoate
CID 82796647
4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
CID 63361212
3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
CID 82991549
3-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N,N-dimethylbenzamide
CID 106155281
5-amino-2-(4-methoxybutan-2-ylamino)benzoic acid
CID 64605735

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide (CID 82990775) is 3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide is COCCC(C)Nc1ccc(C(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide?
The InChIKey is SNMFJGVGKPAGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(7-8-19-4)16-13-6-5-11(9-12(13)15)14(18)17(2)3/h5-6,9-10,16H,7-8,15H2,1-4H3.
What are the key properties of 3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide?
3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide has a molecular weight of 265.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide is sourced from PubChem (CID 82990775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).