4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide

C14H23N3O2 — CID 103388125

IUPAC4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(CCCN)COC)cc1
InChIInChI=1S/C14H23N3O2/c1-16-14(18)11-5-7-12(8-6-11)17-13(10-19-2)4-3-9-15/h5-8,13,17H,3-4,9-10,15H2,1-2H3,(H,16,18)
InChIKeyYFEIYYSEUKIMDK-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.21
Rot. Bonds8

About 4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide

4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide (PubChem CID 103388125) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide
PubChem CID103388125
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(CCCN)COC)cc1
InChIInChI=1S/C14H23N3O2/c1-16-14(18)11-5-7-12(8-6-11)17-13(10-19-2)4-3-9-15/h5-8,13,17H,3-4,9-10,15H2,1-2H3,(H,16,18)
InChIKeyYFEIYYSEUKIMDK-UHFFFAOYSA-N
XLogP1.21
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate
CID 103387754
2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide
CID 103388398
4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide
CID 103388414
3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide
CID 103388767
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide
CID 103388775
N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide
CID 103387932
5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine
CID 103388717
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine
CID 103389195
4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide
CID 55080716
N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide
CID 103388710
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide
CID 103388830

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide?
The IUPAC name of 4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide (CID 103388125) is 4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide?
The canonical SMILES for 4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(CCCN)COC)cc1.
What is the InChIKey of 4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide?
The InChIKey is YFEIYYSEUKIMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16-14(18)11-5-7-12(8-6-11)17-13(10-19-2)4-3-9-15/h5-8,13,17H,3-4,9-10,15H2,1-2H3,(H,16,18).
What are the key properties of 4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide?
4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide has a molecular weight of 265.36 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide is sourced from PubChem (CID 103388125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).