2-(benzylamino)-N-[2,3-bis(5-methoxypentoxy)propyl]acetamide;butan-1-amine

C28H53N3O5 — CID 142284000

IUPAC2-(benzylamino)-N-[2,3-bis(5-methoxypentoxy)propyl]acetamide;butan-1-amine
SMILESCCCCN.COCCCCCOCC(CNC(=O)CNCc1ccccc1)OCCCCCOC
InChIInChI=1S/C24H42N2O5.C4H11N/c1-28-14-8-4-10-16-30-21-23(31-17-11-5-9-15-29-2)19-26-24(27)20-25-18-22-12-6-3-7-13-22;1-2-3-4-5/h3,6-7,12-13,23,25H,4-5,8-11,14-21H2,1-2H3,(H,26,27);2-5H2,1H3
InChIKeyNSYNLHLOLMYXPQ-UHFFFAOYSA-N
MW511.75 g/mol
LogP3.67
Rot. Bonds23

About 2-(benzylamino)-N-[2,3-bis(5-methoxypentoxy)propyl]acetamide;butan-1-amine

2-(benzylamino)-N-[2,3-bis(5-methoxypentoxy)propyl]acetamide;butan-1-amine (PubChem CID 142284000) has the molecular formula C28H53N3O5 and a molecular weight of 511.75 g/mol. Its IUPAC name is 2-(benzylamino)-N-[2,3-bis(5-methoxypentoxy)propyl]acetamide;butan-1-amine.

Molecular Properties

Compound Name2-(benzylamino)-N-[2,3-bis(5-methoxypentoxy)propyl]acetamide;butan-1-amine
PubChem CID142284000
Molecular FormulaC28H53N3O5
Molecular Weight511.75 g/mol
Exact Mass511.40
IUPAC Name2-(benzylamino)-N-[2,3-bis(5-methoxypentoxy)propyl]acetamide;butan-1-amine
SMILESCCCCN.COCCCCCOCC(CNC(=O)CNCc1ccccc1)OCCCCCOC
InChIInChI=1S/C24H42N2O5.C4H11N/c1-28-14-8-4-10-16-30-21-23(31-17-11-5-9-15-29-2)19-26-24(27)20-25-18-22-12-6-3-7-13-22;1-2-3-4-5/h3,6-7,12-13,23,25H,4-5,8-11,14-21H2,1-2H3,(H,26,27);2-5H2,1H3
InChIKeyNSYNLHLOLMYXPQ-UHFFFAOYSA-N
XLogP3.67
TPSA104.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.75
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-amino-2-(benzylamino)-N-(2,3-diheptoxypropyl)hexanamide;dihydrochloride
CID 134231468
(2S)-6-amino-2-(benzylamino)-N-(2-heptoxy-3-methoxypropyl)hexanamide;dihydrochloride
CID 134231508
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
(2S)-2-amino-N-[2,3-di(tetradecoxy)propyl]-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride
CID 134231569
N-benzyl-1-phenylmethanamine;butan-1-amine
CID 174958540
(2S)-2,6-diamino-N-[2,3-di(tetradecoxy)propyl]hexanamide;hydrochloride
CID 164615658
N-(2-pentoxy-3-trityloxypropyl)dodecanamide
CID 11093112
N-(2-nonoxy-3-trityloxypropyl)tetradecanamide
CID 10941402
N-(2-heptoxy-3-trityloxypropyl)dodecanamide
CID 11734758
N-(2-nonadecoxy-3-trityloxypropyl)octadecanamide
CID 10876654
2-methoxyethyl 3-[[3-[2,3-di(tetradecoxy)propylamino]-3-oxopropyl]-(3-methylperoxy-3-oxopropyl)amino]propanoate
CID 176739657
ethyl 2-benzyl-3-(12-methoxydodecanoylamino)propanoate
CID 15432308

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-[2,3-bis(5-methoxypentoxy)propyl]acetamide;butan-1-amine?
The IUPAC name of 2-(benzylamino)-N-[2,3-bis(5-methoxypentoxy)propyl]acetamide;butan-1-amine (CID 142284000) is 2-(benzylamino)-N-[2,3-bis(5-methoxypentoxy)propyl]acetamide;butan-1-amine.
What is the SMILES notation for 2-(benzylamino)-N-[2,3-bis(5-methoxypentoxy)propyl]acetamide;butan-1-amine?
The canonical SMILES for 2-(benzylamino)-N-[2,3-bis(5-methoxypentoxy)propyl]acetamide;butan-1-amine is CCCCN.COCCCCCOCC(CNC(=O)CNCc1ccccc1)OCCCCCOC.
What is the InChIKey of 2-(benzylamino)-N-[2,3-bis(5-methoxypentoxy)propyl]acetamide;butan-1-amine?
The InChIKey is NSYNLHLOLMYXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O5.C4H11N/c1-28-14-8-4-10-16-30-21-23(31-17-11-5-9-15-29-2)19-26-24(27)20-25-18-22-12-6-3-7-13-22;1-2-3-4-5/h3,6-7,12-13,23,25H,4-5,8-11,14-21H2,1-2H3,(H,26,27);2-5H2,1H3.
What are the key properties of 2-(benzylamino)-N-[2,3-bis(5-methoxypentoxy)propyl]acetamide;butan-1-amine?
2-(benzylamino)-N-[2,3-bis(5-methoxypentoxy)propyl]acetamide;butan-1-amine has a molecular weight of 511.75 g/mol, XLogP of 3.67, 23 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-[2,3-bis(5-methoxypentoxy)propyl]acetamide;butan-1-amine is sourced from PubChem (CID 142284000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).