2,6-diamino-N-(4-methoxy-3-methylphenyl)hexanamide

C14H23N3O2 — CID 123418286

IUPAC2,6-diamino-N-(4-methoxy-3-methylphenyl)hexanamide
SMILESCOc1ccc(NC(=O)C(N)CCCCN)cc1C
InChIInChI=1S/C14H23N3O2/c1-10-9-11(6-7-13(10)19-2)17-14(18)12(16)5-3-4-8-15/h6-7,9,12H,3-5,8,15-16H2,1-2H3,(H,17,18)
InChIKeyIQEKAJFELLTDTQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.40
Rot. Bonds7

About 2,6-diamino-N-(4-methoxy-3-methylphenyl)hexanamide

2,6-diamino-N-(4-methoxy-3-methylphenyl)hexanamide (PubChem CID 123418286) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2,6-diamino-N-(4-methoxy-3-methylphenyl)hexanamide.

Molecular Properties

Compound Name2,6-diamino-N-(4-methoxy-3-methylphenyl)hexanamide
PubChem CID123418286
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2,6-diamino-N-(4-methoxy-3-methylphenyl)hexanamide
SMILESCOc1ccc(NC(=O)C(N)CCCCN)cc1C
InChIInChI=1S/C14H23N3O2/c1-10-9-11(6-7-13(10)19-2)17-14(18)12(16)5-3-4-8-15/h6-7,9,12H,3-5,8,15-16H2,1-2H3,(H,17,18)
InChIKeyIQEKAJFELLTDTQ-UHFFFAOYSA-N
XLogP1.40
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-(2,5-diaminopentanoylamino)-2-methoxyanilino]acetic acid
CID 123852911
5-[[(2S)-6-amino-2-[[5-[[(2S)-6-amino-2-[[5-[[(2S)-6-amino-2-[[5-[[(2S)-2,6-diaminohexanoyl]amino]-2-methoxybenzoyl]amino]hexanoyl]amino]-2-methoxybenzoyl]amino]hexanoyl]amino]-2-methoxybenzoyl]amino]hexanoyl]amino]-2-methoxybenzoic acid
CID 88581863
6-acetamidohexanoic acid;N-[(2S)-6-amino-1-[3-[[(2S)-6-amino-1-[3-[[(2S)-6-amino-1-(4-methoxy-3-methylanilino)-1-oxohexan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxohexan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxohexan-2-yl]-5-[[(2S)-2,6-diaminohexanoyl]amino]-2-methoxybenzamide
CID 159169037
N-[(2S)-5-amino-1-[3-[[(2S)-6-amino-1-[3-[[(2S)-5-amino-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxohexan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]-5-[[(2S)-2,5-diaminopentanoyl]amino]-2-methoxybenzamide
CID 134323178
N-[6-amino-1-[3-[[6-amino-1-[3-[[6-amino-1-[3-(2-hydroxyacetyl)-4-methoxyanilino]-1-oxohexan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxohexan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxohexan-2-yl]-5-(2,6-diaminohexanoylamino)-2-methoxybenzamide
CID 123174702
(2S)-2-[[5-[[(2S)-6-amino-2-[[5-[[(2S)-6-amino-2-[[5-[[(2S)-6-amino-2-[[5-[[(2S)-2,6-diaminohexanoyl]amino]-2-methoxybenzoyl]amino]hexanoyl]amino]-2-methoxybenzoyl]amino]hexanoyl]amino]-2-methoxybenzoyl]amino]hexanoyl]amino]-2-methoxybenzoyl]amino]propanoic acid
CID 88581810
2,6-diamino-N-[5-amino-6-[4-[[2-amino-6-(2,6-diaminohexanoylamino)hexanoyl]amino]anilino]-6-oxohexyl]hexanamide
CID 58984407
2-methoxy-N-(4-methoxy-3-methylphenyl)propanamide
CID 47317942
N-[(3R)-7-amino-1-[3-[[(2R)-6-amino-1-(3-carbamoyl-4-methoxyanilino)-1-oxohexan-2-yl]carbamoyl]-4-methoxyanilino]-2-oxoheptan-3-yl]-5-[[(2R)-6-amino-2-[[5-[[(2R)-2,6-diaminohexanoyl]amino]-2-methoxybenzoyl]amino]hexanoyl]amino]-2-methoxy-3-methylbenzamide
CID 131994672
(4S)-4-[[5-[[(2S)-6-amino-2-[[5-[[(2S)-6-amino-2-[[5-[[(2S)-6-amino-2-[[5-[[(2S)-2,6-diaminohexanoyl]amino]-2-methoxybenzoyl]amino]hexanoyl]amino]-2-methoxybenzoyl]amino]hexanoyl]amino]-2-methoxybenzoyl]amino]hexanoyl]amino]-2-methoxybenzoyl]amino]-5-oxohexanoic acid
CID 88576496
N-[(2S)-6-amino-1-[3-[[(2S)-6-amino-1-[3-[[(2S)-6-amino-1-(3-carbamoyl-4-methylsulfanylanilino)-1-oxohexan-2-yl]carbamoyl]-4-methylsulfanylanilino]-1-oxohexan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxohexan-2-yl]-5-[[(2S)-2,6-diaminohexanoyl]amino]-2-methoxybenzamide
CID 58359541
5-[[(2S)-6-amino-2-[[5-[[6-amino-2-[[5-[[(2S)-6-amino-2-[[5-[[(2S)-2,6-diaminohexanoyl]amino]-2-methylsulfanylbenzoyl]amino]hexanoyl]amino]-2-methoxybenzoyl]amino]hexanoyl]amino]-2-methoxybenzoyl]amino]hexanoyl]amino]-2-methoxybenzamide
CID 134323028

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-N-(4-methoxy-3-methylphenyl)hexanamide?
The IUPAC name of 2,6-diamino-N-(4-methoxy-3-methylphenyl)hexanamide (CID 123418286) is 2,6-diamino-N-(4-methoxy-3-methylphenyl)hexanamide.
What is the SMILES notation for 2,6-diamino-N-(4-methoxy-3-methylphenyl)hexanamide?
The canonical SMILES for 2,6-diamino-N-(4-methoxy-3-methylphenyl)hexanamide is COc1ccc(NC(=O)C(N)CCCCN)cc1C.
What is the InChIKey of 2,6-diamino-N-(4-methoxy-3-methylphenyl)hexanamide?
The InChIKey is IQEKAJFELLTDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-9-11(6-7-13(10)19-2)17-14(18)12(16)5-3-4-8-15/h6-7,9,12H,3-5,8,15-16H2,1-2H3,(H,17,18).
What are the key properties of 2,6-diamino-N-(4-methoxy-3-methylphenyl)hexanamide?
2,6-diamino-N-(4-methoxy-3-methylphenyl)hexanamide has a molecular weight of 265.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-N-(4-methoxy-3-methylphenyl)hexanamide is sourced from PubChem (CID 123418286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).