2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide

C16H27N3O2 — CID 60685420

IUPAC2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCCN(CC)c1ccc(NCC(=O)NC(C)COC)cc1
InChIInChI=1S/C16H27N3O2/c1-5-19(6-2)15-9-7-14(8-10-15)17-11-16(20)18-13(3)12-21-4/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,18,20)
InChIKeyIAHRATZANSKULM-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.10
Rot. Bonds9

About 2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide

2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 60685420) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID60685420
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCCN(CC)c1ccc(NCC(=O)NC(C)COC)cc1
InChIInChI=1S/C16H27N3O2/c1-5-19(6-2)15-9-7-14(8-10-15)17-11-16(20)18-13(3)12-21-4/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,18,20)
InChIKeyIAHRATZANSKULM-UHFFFAOYSA-N
XLogP2.10
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxypropan-2-yl)-2-(4-propan-2-yloxyanilino)acetamide
CID 61487924
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide
CID 61488230
butyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate
CID 51252606
2-[4-(diethylamino)anilino]acetic acid;dihydrochloride
CID 131880910
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 60684179
2-[4-(diethylamino)anilino]-N-phenylacetamide
CID 70365941
2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 107789246
2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 80973341
2-(2,6-diethylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 62328026
2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide
CID 54811338
2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 79054522

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide (CID 60685420) is 2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide is CCN(CC)c1ccc(NCC(=O)NC(C)COC)cc1.
What is the InChIKey of 2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is IAHRATZANSKULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-19(6-2)15-9-7-14(8-10-15)17-11-16(20)18-13(3)12-21-4/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,18,20).
What are the key properties of 2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide?
2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 60685420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).