2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide

C16H27N3O2 — CID 61488232

IUPAC2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN(c1ccc(CN)cc1)C(C)C
InChIInChI=1S/C16H27N3O2/c1-12(2)19(10-16(20)18-13(3)11-21-4)15-7-5-14(9-17)6-8-15/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20)
InChIKeyXBZJIMBUDOJSAE-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.51
Rot. Bonds8

About 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide

2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 61488232) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID61488232
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN(c1ccc(CN)cc1)C(C)C
InChIInChI=1S/C16H27N3O2/c1-12(2)19(10-16(20)18-13(3)11-21-4)15-7-5-14(9-17)6-8-15/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20)
InChIKeyXBZJIMBUDOJSAE-UHFFFAOYSA-N
XLogP1.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide (CID 61488232) is 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CN(c1ccc(CN)cc1)C(C)C.
What is the InChIKey of 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is XBZJIMBUDOJSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)19(10-16(20)18-13(3)11-21-4)15-7-5-14(9-17)6-8-15/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20).
What are the key properties of 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide?
2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 61488232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).