N-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide

C40H50N2O4 — CID 25210199

IUPACN-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide
SMILESNCCCCCCCCCCCCNC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C40H50N2O4/c41-26-18-7-5-3-1-2-4-6-8-19-27-42-40(43)36-28-37(44-30-33-20-12-9-13-21-33)39(46-32-35-24-16-11-17-25-35)38(29-36)45-31-34-22-14-10-15-23-34/h9-17,20-25,28-29H,1-8,18-19,26-27,30-32,41H2,(H,42,43)
InChIKeyUMPMGGKBSVOGHZ-UHFFFAOYSA-N
MW622.85 g/mol
LogP9.01
Rot. Bonds22

About N-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide

N-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide (PubChem CID 25210199) has the molecular formula C40H50N2O4 and a molecular weight of 622.85 g/mol. Its IUPAC name is N-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide.

Molecular Properties

Compound NameN-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide
PubChem CID25210199
Molecular FormulaC40H50N2O4
Molecular Weight622.85 g/mol
Exact Mass622.38
IUPAC NameN-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide
SMILESNCCCCCCCCCCCCNC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C40H50N2O4/c41-26-18-7-5-3-1-2-4-6-8-19-27-42-40(43)36-28-37(44-30-33-20-12-9-13-21-33)39(46-32-35-24-16-11-17-25-35)38(29-36)45-31-34-22-14-10-15-23-34/h9-17,20-25,28-29H,1-8,18-19,26-27,30-32,41H2,(H,42,43)
InChIKeyUMPMGGKBSVOGHZ-UHFFFAOYSA-N
XLogP9.01
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.85
LogP ≤ 59.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide
CID 3289624
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
methyl (2R)-6-[(2-phenylacetyl)amino]-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]hexanoate
CID 99648353
3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide
CID 4602601
N-(2-aminoethyl)-4-phenylmethoxybenzamide
CID 13064036
3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 25371723
benzyl N-[3-[3-[3-[3-[3-[[3,5-bis[3-(phenylmethoxycarbonylamino)propyl]benzoyl]amino]propyl]-5-(hydroxymethyl)phenyl]propylcarbamoyl]-5-[3-(phenylmethoxycarbonylamino)propyl]phenyl]propyl]carbamate
CID 102153538
benzyl N-[4-(4-aminobutylamino)butyl]carbamate
CID 155065832
N-(5-aminopentyl)-4-hydroxybenzamide
CID 11459592
N-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide
CID 4523906
3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 9456714

Frequently Asked Questions

What is the IUPAC name of N-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide?
The IUPAC name of N-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide (CID 25210199) is N-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide.
What is the SMILES notation for N-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide?
The canonical SMILES for N-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide is NCCCCCCCCCCCCNC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of N-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide?
The InChIKey is UMPMGGKBSVOGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H50N2O4/c41-26-18-7-5-3-1-2-4-6-8-19-27-42-40(43)36-28-37(44-30-33-20-12-9-13-21-33)39(46-32-35-24-16-11-17-25-35)38(29-36)45-31-34-22-14-10-15-23-34/h9-17,20-25,28-29H,1-8,18-19,26-27,30-32,41H2,(H,42,43).
What are the key properties of N-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide?
N-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide has a molecular weight of 622.85 g/mol, XLogP of 9.01, 22 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide is sourced from PubChem (CID 25210199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).