2-acetamido-6-amino-N-[4-(methoxymethyl)phenyl]hexanamide

C16H25N3O3 — CID 146383034

IUPAC2-acetamido-6-amino-N-[4-(methoxymethyl)phenyl]hexanamide
SMILESCOCc1ccc(NC(=O)C(CCCCN)NC(C)=O)cc1
InChIInChI=1S/C16H25N3O3/c1-12(20)18-15(5-3-4-10-17)16(21)19-14-8-6-13(7-9-14)11-22-2/h6-9,15H,3-5,10-11,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVRWPCSIHBIKREU-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.41
Rot. Bonds9

About 2-acetamido-6-amino-N-[4-(methoxymethyl)phenyl]hexanamide

2-acetamido-6-amino-N-[4-(methoxymethyl)phenyl]hexanamide (PubChem CID 146383034) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-acetamido-6-amino-N-[4-(methoxymethyl)phenyl]hexanamide.

Molecular Properties

Compound Name2-acetamido-6-amino-N-[4-(methoxymethyl)phenyl]hexanamide
PubChem CID146383034
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-acetamido-6-amino-N-[4-(methoxymethyl)phenyl]hexanamide
SMILESCOCc1ccc(NC(=O)C(CCCCN)NC(C)=O)cc1
InChIInChI=1S/C16H25N3O3/c1-12(20)18-15(5-3-4-10-17)16(21)19-14-8-6-13(7-9-14)11-22-2/h6-9,15H,3-5,10-11,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVRWPCSIHBIKREU-UHFFFAOYSA-N
XLogP1.41
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.41
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

(2R)-6-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-N-[4-(methoxymethyl)phenyl]hexanamide
CID 59265060
(2S)-6-amino-2-[(2-amino-3-phenylpropanoyl)amino]-N-[4-(methylaminooxymethyl)phenyl]hexanamide
CID 144894754
[4-[[(2S)-2-[[2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl acetate
CID 126540205
[4-[[6-amino-2-[[3-methyl-2-(propan-2-ylamino)butanoyl]amino]hexanoyl]amino]phenyl]methyl acetate;ethane
CID 178057643
4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]amino](113C)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 91337202
acetic acid;tert-butyl N-[(2S)-6-amino-1-(4-ethylanilino)-1-oxohexan-2-yl]carbamate
CID 158633457
[4-[[(2S)-6-amino-2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]phenyl]methyl 2-methylpropanoate
CID 163515152
2-[4-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]acetic acid
CID 10309942
(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 154574215
2-[2-[[6-amino-1-[4-(hydroxymethyl)anilino]-1-oxohexan-2-yl]amino]-2-oxoethoxy]acetic acid
CID 170453576
2-[4-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]acetic acid;hydrochloride
CID 10309941
5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide
CID 113440853

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-6-amino-N-[4-(methoxymethyl)phenyl]hexanamide?
The IUPAC name of 2-acetamido-6-amino-N-[4-(methoxymethyl)phenyl]hexanamide (CID 146383034) is 2-acetamido-6-amino-N-[4-(methoxymethyl)phenyl]hexanamide.
What is the SMILES notation for 2-acetamido-6-amino-N-[4-(methoxymethyl)phenyl]hexanamide?
The canonical SMILES for 2-acetamido-6-amino-N-[4-(methoxymethyl)phenyl]hexanamide is COCc1ccc(NC(=O)C(CCCCN)NC(C)=O)cc1.
What is the InChIKey of 2-acetamido-6-amino-N-[4-(methoxymethyl)phenyl]hexanamide?
The InChIKey is VRWPCSIHBIKREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-12(20)18-15(5-3-4-10-17)16(21)19-14-8-6-13(7-9-14)11-22-2/h6-9,15H,3-5,10-11,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-acetamido-6-amino-N-[4-(methoxymethyl)phenyl]hexanamide?
2-acetamido-6-amino-N-[4-(methoxymethyl)phenyl]hexanamide has a molecular weight of 307.39 g/mol, XLogP of 1.41, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-6-amino-N-[4-(methoxymethyl)phenyl]hexanamide is sourced from PubChem (CID 146383034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).