2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide

C16H26N2O — CID 43683718

IUPAC2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide
SMILESCCC(C)C(C)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-6-12(4)13(5)17-14-7-9-15(10-8-14)18-16(19)11(2)3/h7-13,17H,6H2,1-5H3,(H,18,19)
InChIKeyBBJBUTFRSXCOLP-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.13
Rot. Bonds6

About 2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide

2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide (PubChem CID 43683718) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide
PubChem CID43683718
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide
SMILESCCC(C)C(C)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-6-12(4)13(5)17-14-7-9-15(10-8-14)18-16(19)11(2)3/h7-13,17H,6H2,1-5H3,(H,18,19)
InChIKeyBBJBUTFRSXCOLP-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43683753
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N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide
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3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
CID 55111079
2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 65225572
N-(3-methylpentan-2-yl)-4-propan-2-ylaniline
CID 43101164
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
N-(3-methylpentan-2-yl)-4-methylsulfonylaniline
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(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide
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N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide (CID 43683718) is 2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide is CCC(C)C(C)Nc1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide?
The InChIKey is BBJBUTFRSXCOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-12(4)13(5)17-14-7-9-15(10-8-14)18-16(19)11(2)3/h7-13,17H,6H2,1-5H3,(H,18,19).
What are the key properties of 2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide?
2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide has a molecular weight of 262.40 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide is sourced from PubChem (CID 43683718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).