4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide

C16H26N2O2 — CID 102975760

IUPAC4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide
SMILESCOC(C)(C)CCNc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)18-15(19)13-6-8-14(9-7-13)17-11-10-16(3,4)20-5/h6-9,12,17H,10-11H2,1-5H3,(H,18,19)
InChIKeyXMSLENUQLRAGSG-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.05
Rot. Bonds7

About 4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide

4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide (PubChem CID 102975760) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide
PubChem CID102975760
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide
SMILESCOC(C)(C)CCNc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)18-15(19)13-6-8-14(9-7-13)17-11-10-16(3,4)20-5/h6-9,12,17H,10-11H2,1-5H3,(H,18,19)
InChIKeyXMSLENUQLRAGSG-UHFFFAOYSA-N
XLogP3.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(heptylamino)-N-propan-2-ylbenzamide
CID 60935201
N-ethyl-2-[4-[(3-methoxy-3-methylbutyl)amino]phenyl]acetamide
CID 102975694
3-[(3-methoxy-3-methylbutyl)amino]benzoic acid
CID 106675116
4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide
CID 16640627
(3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate
CID 102979001
1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 103033160
N-butan-2-yl-4-(propylamino)benzamide
CID 62171300
4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide
CID 60935576
N-octan-2-yl-4-(propylamino)benzamide
CID 63500795
4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840290
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54836484
4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840779

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide (CID 102975760) is 4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide is COC(C)(C)CCNc1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is XMSLENUQLRAGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)18-15(19)13-6-8-14(9-7-13)17-11-10-16(3,4)20-5/h6-9,12,17H,10-11H2,1-5H3,(H,18,19).
What are the key properties of 4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide?
4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 278.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 102975760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).