N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide

C33H36N2O4 — CID 3289624

IUPACN-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide
SMILESCN(C)CCCNC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C33H36N2O4/c1-35(2)20-12-19-34-33(36)29-21-30(37-23-26-13-6-3-7-14-26)32(39-25-28-17-10-5-11-18-28)31(22-29)38-24-27-15-8-4-9-16-27/h3-11,13-18,21-22H,12,19-20,23-25H2,1-2H3,(H,34,36)
InChIKeyWUEOPVXVTZUNKI-UHFFFAOYSA-N
MW524.66 g/mol
LogP6.11
Rot. Bonds14

About N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide

N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide (PubChem CID 3289624) has the molecular formula C33H36N2O4 and a molecular weight of 524.66 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide
PubChem CID3289624
Molecular FormulaC33H36N2O4
Molecular Weight524.66 g/mol
Exact Mass524.27
IUPAC NameN-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide
SMILESCN(C)CCCNC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C33H36N2O4/c1-35(2)20-12-19-34-33(36)29-21-30(37-23-26-13-6-3-7-14-26)32(39-25-28-17-10-5-11-18-28)31(22-29)38-24-27-15-8-4-9-16-27/h3-11,13-18,21-22H,12,19-20,23-25H2,1-2H3,(H,34,36)
InChIKeyWUEOPVXVTZUNKI-UHFFFAOYSA-N
XLogP6.11
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.66
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide
CID 25210199
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104300
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24512905
1-N,3-N-bis[3-(dimethylamino)propyl]-5-methoxy-4-(6-phenylhexoxy)benzene-1,3-dicarboxamide
CID 19930259
3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide
CID 4602601
3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide
CID 19578403
N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide
CID 756601
methyl (2R)-6-[(2-phenylacetyl)amino]-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]hexanoate
CID 99648353
3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 9456714

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide (CID 3289624) is N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide is CN(C)CCCNC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide?
The InChIKey is WUEOPVXVTZUNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O4/c1-35(2)20-12-19-34-33(36)29-21-30(37-23-26-13-6-3-7-14-26)32(39-25-28-17-10-5-11-18-28)31(22-29)38-24-27-15-8-4-9-16-27/h3-11,13-18,21-22H,12,19-20,23-25H2,1-2H3,(H,34,36).
What are the key properties of N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide?
N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide has a molecular weight of 524.66 g/mol, XLogP of 6.11, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide is sourced from PubChem (CID 3289624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).