N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide

C26H46N4O3 — CID 171348881

IUPACN-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1ccc(OCCCCCCCCN=C(N)N)c(OC)c1
InChIInChI=1S/C26H46N4O3/c1-3-4-5-6-9-12-15-25(31)30-21-22-16-17-23(24(20-22)32-2)33-19-14-11-8-7-10-13-18-29-26(27)28/h16-17,20H,3-15,18-19,21H2,1-2H3,(H,30,31)(H4,27,28,29)
InChIKeyDVRSJDVXVNMXHN-UHFFFAOYSA-N
MW462.68 g/mol
LogP5.05
Rot. Bonds20

About N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide

N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide (PubChem CID 171348881) has the molecular formula C26H46N4O3 and a molecular weight of 462.68 g/mol. Its IUPAC name is N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide.

Molecular Properties

Compound NameN-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide
PubChem CID171348881
Molecular FormulaC26H46N4O3
Molecular Weight462.68 g/mol
Exact Mass462.36
IUPAC NameN-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1ccc(OCCCCCCCCN=C(N)N)c(OC)c1
InChIInChI=1S/C26H46N4O3/c1-3-4-5-6-9-12-15-25(31)30-21-22-16-17-23(24(20-22)32-2)33-19-14-11-8-7-10-13-18-29-26(27)28/h16-17,20H,3-15,18-19,21H2,1-2H3,(H,30,31)(H4,27,28,29)
InChIKeyDVRSJDVXVNMXHN-UHFFFAOYSA-N
XLogP5.05
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.68
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide with MolForge

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Related Compounds

N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide
CID 19904835
N-[[4-(2-azidoethoxy)-3-methoxyphenyl]methyl]octadec-9-enamide
CID 54514212
(Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide
CID 67825156
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
N-[(3-methoxy-4-trimethylsilyloxyphenyl)methyl]nonanamide
CID 610544
N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]tetradecanamide
CID 54791036
N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate
CID 20976476
N-[[4-[2-hydroxy-3-(2-methylbutylamino)propoxy]-3-methoxyphenyl]methyl]nonanamide
CID 10048678
N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide
CID 39971238
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-3-[(E)-octadec-1-enyl]urea
CID 19904771

Frequently Asked Questions

What is the IUPAC name of N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide?
The IUPAC name of N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide (CID 171348881) is N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide.
What is the SMILES notation for N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide?
The canonical SMILES for N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide is CCCCCCCCC(=O)NCc1ccc(OCCCCCCCCN=C(N)N)c(OC)c1.
What is the InChIKey of N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide?
The InChIKey is DVRSJDVXVNMXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N4O3/c1-3-4-5-6-9-12-15-25(31)30-21-22-16-17-23(24(20-22)32-2)33-19-14-11-8-7-10-13-18-29-26(27)28/h16-17,20H,3-15,18-19,21H2,1-2H3,(H,30,31)(H4,27,28,29).
What are the key properties of N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide?
N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide has a molecular weight of 462.68 g/mol, XLogP of 5.05, 20 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide is sourced from PubChem (CID 171348881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).