3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide

C14H23N3O3 — CID 103388775

IUPAC3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide
SMILESCOCC(CCCN)Nc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C14H23N3O3/c1-19-9-11(4-3-7-15)17-12-8-10(14(16)18)5-6-13(12)20-2/h5-6,8,11,17H,3-4,7,9,15H2,1-2H3,(H2,16,18)
InChIKeyXKLFJBJPABQRKU-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.96
Rot. Bonds9

About 3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide

3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide (PubChem CID 103388775) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide
PubChem CID103388775
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide
SMILESCOCC(CCCN)Nc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C14H23N3O3/c1-19-9-11(4-3-7-15)17-12-8-10(14(16)18)5-6-13(12)20-2/h5-6,8,11,17H,3-4,7,9,15H2,1-2H3,(H2,16,18)
InChIKeyXKLFJBJPABQRKU-UHFFFAOYSA-N
XLogP0.96
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine
CID 103387175
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
4-amino-3-[(4-hydroxy-1-methoxybutan-2-yl)amino]benzamide
CID 106153852
5-methoxy-4-N-(2-methoxy-4-methylphenyl)pentane-1,4-diamine
CID 103389291
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide
CID 103388830
3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide
CID 103388767
3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide
CID 115928740
2-(5-carbamoyl-2-methoxyanilino)propanoic acid
CID 66174329
4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide
CID 103388125
5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide
CID 103388414
ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate
CID 103387754
methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate
CID 103388068

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide?
The IUPAC name of 3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide (CID 103388775) is 3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide.
What is the SMILES notation for 3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide?
The canonical SMILES for 3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide is COCC(CCCN)Nc1cc(C(N)=O)ccc1OC.
What is the InChIKey of 3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide?
The InChIKey is XKLFJBJPABQRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-19-9-11(4-3-7-15)17-12-8-10(14(16)18)5-6-13(12)20-2/h5-6,8,11,17H,3-4,7,9,15H2,1-2H3,(H2,16,18).
What are the key properties of 3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide?
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide has a molecular weight of 281.36 g/mol, XLogP of 0.96, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide is sourced from PubChem (CID 103388775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).