N-[3-[4-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]butylamino]propyl]-2,5-dimethoxybenzamide

C28H42N4O6 — CID 73347888

IUPACN-[3-[4-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]butylamino]propyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCCCNCCCCNCCCNC(=O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C28H42N4O6/c1-35-21-9-11-25(37-3)23(19-21)27(33)31-17-7-15-29-13-5-6-14-30-16-8-18-32-28(34)24-20-22(36-2)10-12-26(24)38-4/h9-12,19-20,29-30H,5-8,13-18H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyIGTFIYYATOISLG-UHFFFAOYSA-N
MW530.67 g/mol
LogP2.62
Rot. Bonds19

About N-[3-[4-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]butylamino]propyl]-2,5-dimethoxybenzamide

N-[3-[4-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]butylamino]propyl]-2,5-dimethoxybenzamide (PubChem CID 73347888) has the molecular formula C28H42N4O6 and a molecular weight of 530.67 g/mol. Its IUPAC name is N-[3-[4-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]butylamino]propyl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[4-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]butylamino]propyl]-2,5-dimethoxybenzamide
PubChem CID73347888
Molecular FormulaC28H42N4O6
Molecular Weight530.67 g/mol
Exact Mass530.31
IUPAC NameN-[3-[4-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]butylamino]propyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCCCNCCCCNCCCNC(=O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C28H42N4O6/c1-35-21-9-11-25(37-3)23(19-21)27(33)31-17-7-15-29-13-5-6-14-30-16-8-18-32-28(34)24-20-22(36-2)10-12-26(24)38-4/h9-12,19-20,29-30H,5-8,13-18H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyIGTFIYYATOISLG-UHFFFAOYSA-N
XLogP2.62
TPSA119.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.67
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Flecainide
CID 3356
R-(-)-Flecainide
CID 6603850
2,3-Dimethoxy-N-(1-(4-fluorobenzyl)piperidin-4-yl)benzamide
CID 134002
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 808577
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
N-(1-Benzylpiperidin-4-yl)-2,3-dimethoxybenzamide
CID 13314232
2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide
CID 1769368
N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxybenzamide
CID 2252719
3-Methoxy-N-piperidin-4-yl-benzamide
CID 1445157
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
2-Methoxy-N-(phenylmethyl)benzamide
CID 700577

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]butylamino]propyl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[3-[4-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]butylamino]propyl]-2,5-dimethoxybenzamide (CID 73347888) is N-[3-[4-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]butylamino]propyl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-[4-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]butylamino]propyl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[3-[4-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]butylamino]propyl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NCCCNCCCCNCCCNC(=O)c2cc(OC)ccc2OC)c1.
What is the InChIKey of N-[3-[4-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]butylamino]propyl]-2,5-dimethoxybenzamide?
The InChIKey is IGTFIYYATOISLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O6/c1-35-21-9-11-25(37-3)23(19-21)27(33)31-17-7-15-29-13-5-6-14-30-16-8-18-32-28(34)24-20-22(36-2)10-12-26(24)38-4/h9-12,19-20,29-30H,5-8,13-18H2,1-4H3,(H,31,33)(H,32,34).
What are the key properties of N-[3-[4-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]butylamino]propyl]-2,5-dimethoxybenzamide?
N-[3-[4-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]butylamino]propyl]-2,5-dimethoxybenzamide has a molecular weight of 530.67 g/mol, XLogP of 2.62, 19 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-[(2,5-dimethoxybenzoyl)amino]propylamino]butylamino]propyl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 73347888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).