3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide

C16H27N3O — CID 18070893

IUPAC3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C16H27N3O/c1-11(2)19(12(3)4)10-9-18-16(20)14-7-6-8-15(17)13(14)5/h6-8,11-12H,9-10,17H2,1-5H3,(H,18,20)
InChIKeyWQIGJUHHTMDAJW-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.43
Rot. Bonds6

About 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide

3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide (PubChem CID 18070893) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide
PubChem CID18070893
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C16H27N3O/c1-11(2)19(12(3)4)10-9-18-16(20)14-7-6-8-15(17)13(14)5/h6-8,11-12H,9-10,17H2,1-5H3,(H,18,20)
InChIKeyWQIGJUHHTMDAJW-UHFFFAOYSA-N
XLogP2.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 113449772
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 62073972
3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 78985192
3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61139442
3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
CID 61102386
3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 61140590
3-amino-2-methyl-N-prop-2-enylbenzamide
CID 28723067
3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 83142819
3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 66091959
3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 61140792
N-[2-[di(propan-2-yl)amino]ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 34818779
3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310303

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide?
The IUPAC name of 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide (CID 18070893) is 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide?
The canonical SMILES for 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide is Cc1c(N)cccc1C(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide?
The InChIKey is WQIGJUHHTMDAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)19(12(3)4)10-9-18-16(20)14-7-6-8-15(17)13(14)5/h6-8,11-12H,9-10,17H2,1-5H3,(H,18,20).
What are the key properties of 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide?
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide has a molecular weight of 277.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide is sourced from PubChem (CID 18070893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).