N-(4-aminobutyl)-2-hexoxybenzamide;2-hexoxy-N-[4-(quinolin-4-ylamino)butyl]benzamide

C43H61N5O4 — CID 90319067

IUPACN-(4-aminobutyl)-2-hexoxybenzamide;2-hexoxy-N-[4-(quinolin-4-ylamino)butyl]benzamide
SMILESCCCCCCOc1ccccc1C(=O)NCCCCN.CCCCCCOc1ccccc1C(=O)NCCCCNc1ccnc2ccccc12
InChIInChI=1S/C26H33N3O2.C17H28N2O2/c1-2-3-4-11-20-31-25-15-8-6-13-22(25)26(30)29-18-10-9-17-27-24-16-19-28-23-14-7-5-12-21(23)24;1-2-3-4-9-14-21-16-11-6-5-10-15(16)17(20)19-13-8-7-12-18/h5-8,12-16,19H,2-4,9-11,17-18,20H2,1H3,(H,27,28)(H,29,30);5-6,10-11H,2-4,7-9,12-14,18H2,1H3,(H,19,20)
InChIKeyGANSIPXHNMOZDO-UHFFFAOYSA-N
MW711.99 g/mol
LogP8.93
Rot. Bonds24

About N-(4-aminobutyl)-2-hexoxybenzamide;2-hexoxy-N-[4-(quinolin-4-ylamino)butyl]benzamide

N-(4-aminobutyl)-2-hexoxybenzamide;2-hexoxy-N-[4-(quinolin-4-ylamino)butyl]benzamide (PubChem CID 90319067) has the molecular formula C43H61N5O4 and a molecular weight of 711.99 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-hexoxybenzamide;2-hexoxy-N-[4-(quinolin-4-ylamino)butyl]benzamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-hexoxybenzamide;2-hexoxy-N-[4-(quinolin-4-ylamino)butyl]benzamide
PubChem CID90319067
Molecular FormulaC43H61N5O4
Molecular Weight711.99 g/mol
Exact Mass711.47
IUPAC NameN-(4-aminobutyl)-2-hexoxybenzamide;2-hexoxy-N-[4-(quinolin-4-ylamino)butyl]benzamide
SMILESCCCCCCOc1ccccc1C(=O)NCCCCN.CCCCCCOc1ccccc1C(=O)NCCCCNc1ccnc2ccccc12
InChIInChI=1S/C26H33N3O2.C17H28N2O2/c1-2-3-4-11-20-31-25-15-8-6-13-22(25)26(30)29-18-10-9-17-27-24-16-19-28-23-14-7-5-12-21(23)24;1-2-3-4-9-14-21-16-11-6-5-10-15(16)17(20)19-13-8-7-12-18/h5-8,12-16,19H,2-4,9-11,17-18,20H2,1H3,(H,27,28)(H,29,30);5-6,10-11H,2-4,7-9,12-14,18H2,1H3,(H,19,20)
InChIKeyGANSIPXHNMOZDO-UHFFFAOYSA-N
XLogP8.93
TPSA127.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.99
LogP ≤ 58.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(6-aminohexyl)-2-dodecoxybenzamide
CID 10319064
6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine
CID 118576144
N-(2-aminoethyl)-2-hexoxybenzamide
CID 90319052
N'-quinolin-4-ylpentane-1,5-diamine
CID 107323516
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
N-hexyl-8-methoxyquinolin-4-amine;8-methoxy-N-(4-methoxybutyl)quinolin-4-amine;8-methoxy-N-(6-methoxyhexyl)quinolin-4-amine;N-(5-methoxypentyl)quinolin-4-amine
CID 159618748
2-(benzylamino)-N-[4-(quinolin-4-ylamino)butyl]benzamide
CID 162368751
methyl 6-(quinolin-4-ylamino)hexanoate
CID 62005474
2-methoxy-N-tridecylbenzamide
CID 139819873
2-pentoxybenzohydrazide
CID 54793215
N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide
CID 106307902
N-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide
CID 54404494

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2-hexoxybenzamide;2-hexoxy-N-[4-(quinolin-4-ylamino)butyl]benzamide?
The IUPAC name of N-(4-aminobutyl)-2-hexoxybenzamide;2-hexoxy-N-[4-(quinolin-4-ylamino)butyl]benzamide (CID 90319067) is N-(4-aminobutyl)-2-hexoxybenzamide;2-hexoxy-N-[4-(quinolin-4-ylamino)butyl]benzamide.
What is the SMILES notation for N-(4-aminobutyl)-2-hexoxybenzamide;2-hexoxy-N-[4-(quinolin-4-ylamino)butyl]benzamide?
The canonical SMILES for N-(4-aminobutyl)-2-hexoxybenzamide;2-hexoxy-N-[4-(quinolin-4-ylamino)butyl]benzamide is CCCCCCOc1ccccc1C(=O)NCCCCN.CCCCCCOc1ccccc1C(=O)NCCCCNc1ccnc2ccccc12.
What is the InChIKey of N-(4-aminobutyl)-2-hexoxybenzamide;2-hexoxy-N-[4-(quinolin-4-ylamino)butyl]benzamide?
The InChIKey is GANSIPXHNMOZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2.C17H28N2O2/c1-2-3-4-11-20-31-25-15-8-6-13-22(25)26(30)29-18-10-9-17-27-24-16-19-28-23-14-7-5-12-21(23)24;1-2-3-4-9-14-21-16-11-6-5-10-15(16)17(20)19-13-8-7-12-18/h5-8,12-16,19H,2-4,9-11,17-18,20H2,1H3,(H,27,28)(H,29,30);5-6,10-11H,2-4,7-9,12-14,18H2,1H3,(H,19,20).
What are the key properties of N-(4-aminobutyl)-2-hexoxybenzamide;2-hexoxy-N-[4-(quinolin-4-ylamino)butyl]benzamide?
N-(4-aminobutyl)-2-hexoxybenzamide;2-hexoxy-N-[4-(quinolin-4-ylamino)butyl]benzamide has a molecular weight of 711.99 g/mol, XLogP of 8.93, 24 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2-hexoxybenzamide;2-hexoxy-N-[4-(quinolin-4-ylamino)butyl]benzamide is sourced from PubChem (CID 90319067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).