4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide

C16H26N2O — CID 54864938

IUPAC4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide
SMILESCCC(C)C(C)Nc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-6-12(4)13(5)18-15-9-7-14(8-10-15)16(19)17-11(2)3/h7-13,18H,6H2,1-5H3,(H,17,19)
InChIKeyLYNVXAWHLNEINI-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.67
Rot. Bonds6

About 4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide

4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide (PubChem CID 54864938) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide
PubChem CID54864938
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide
SMILESCCC(C)C(C)Nc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-6-12(4)13(5)18-15-9-7-14(8-10-15)16(19)17-11(2)3/h7-13,18H,6H2,1-5H3,(H,17,19)
InChIKeyLYNVXAWHLNEINI-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide
CID 43683718
2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43724019
N-(3-methylpentan-2-yl)-4-propan-2-ylaniline
CID 43101164
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide
CID 16640627
N-(3-ethylpentan-2-yl)-4-(methylamino)benzamide
CID 63838621
4-(heptylamino)-N-propan-2-ylbenzamide
CID 60935201
N-(3-methylpentan-2-yl)-4-methylsulfonylaniline
CID 43201165
4-chloro-N-propan-2-ylbenzamide
CID 24045
N-(3-methylpentan-2-yl)-4-propylaniline
CID 43096096
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
4-(butylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180623

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide (CID 54864938) is 4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide is CCC(C)C(C)Nc1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide?
The InChIKey is LYNVXAWHLNEINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-12(4)13(5)18-15-9-7-14(8-10-15)16(19)17-11(2)3/h7-13,18H,6H2,1-5H3,(H,17,19).
What are the key properties of 4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide?
4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 54864938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).