3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide

C14H21N3O3 — CID 103831255

IUPAC3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide
SMILESCCCC[C@H](N)C(=O)Nc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C14H21N3O3/c1-3-4-5-10(15)14(19)17-11-8-9(13(16)18)6-7-12(11)20-2/h6-8,10H,3-5,15H2,1-2H3,(H2,16,18)(H,17,19)/t10-/m0/s1
InChIKeyJQCZPWFTGWPSOB-JTQLQIEISA-N
MW279.34 g/mol
LogP1.25
Rot. Bonds7

About 3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide

3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide (PubChem CID 103831255) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide
PubChem CID103831255
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide
SMILESCCCC[C@H](N)C(=O)Nc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C14H21N3O3/c1-3-4-5-10(15)14(19)17-11-8-9(13(16)18)6-7-12(11)20-2/h6-8,10H,3-5,15H2,1-2H3,(H2,16,18)(H,17,19)/t10-/m0/s1
InChIKeyJQCZPWFTGWPSOB-JTQLQIEISA-N
XLogP1.25
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzoic acid
CID 107145552
N-(5-acetamido-2-methoxyphenyl)-2-aminohexanamide
CID 60853865
2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide
CID 60852777
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide
CID 61179555
3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide
CID 76887811
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 60853463
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
2-amino-N-(2,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119263329
3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide
CID 81083526
3-[[(2R)-2-[[5-[[(2R)-2-[[5-[[(2R)-2-[[5-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-methoxybenzoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-methoxybenzoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-methoxybenzoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methoxybenzamide
CID 89215303
2-amino-N-(4-methoxy-2-methylphenyl)hexanamide
CID 62871713
4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374757

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide?
The IUPAC name of 3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide (CID 103831255) is 3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide.
What is the SMILES notation for 3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide?
The canonical SMILES for 3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide is CCCC[C@H](N)C(=O)Nc1cc(C(N)=O)ccc1OC.
What is the InChIKey of 3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide?
The InChIKey is JQCZPWFTGWPSOB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-4-5-10(15)14(19)17-11-8-9(13(16)18)6-7-12(11)20-2/h6-8,10H,3-5,15H2,1-2H3,(H2,16,18)(H,17,19)/t10-/m0/s1.
What are the key properties of 3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide?
3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide is sourced from PubChem (CID 103831255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).