N-(3-azidopropyl)-2,4,5-trimethoxybenzamide

C13H18N4O4 — CID 61344554

IUPACN-(3-azidopropyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)NCCCN=[N+]=[N-])cc1OC
InChIInChI=1S/C13H18N4O4/c1-19-10-8-12(21-3)11(20-2)7-9(10)13(18)15-5-4-6-16-17-14/h7-8H,4-6H2,1-3H3,(H,15,18)
InChIKeyKQWZRJZQOHXXMW-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.14
Rot. Bonds8

About N-(3-azidopropyl)-2,4,5-trimethoxybenzamide

N-(3-azidopropyl)-2,4,5-trimethoxybenzamide (PubChem CID 61344554) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(3-azidopropyl)-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-2,4,5-trimethoxybenzamide
PubChem CID61344554
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC NameN-(3-azidopropyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)NCCCN=[N+]=[N-])cc1OC
InChIInChI=1S/C13H18N4O4/c1-19-10-8-12(21-3)11(20-2)7-9(10)13(18)15-5-4-6-16-17-14/h7-8H,4-6H2,1-3H3,(H,15,18)
InChIKeyKQWZRJZQOHXXMW-UHFFFAOYSA-N
XLogP2.14
TPSA105.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-azidopropyl)-2-methoxy-5-methylbenzamide
CID 62503381
N-(3-azidopropyl)-3,4-dimethoxybenzamide
CID 61344006
2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
4-[(2,4,5-trimethoxybenzoyl)amino]butanoic acid
CID 28831828
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107
N-(3-azidopropyl)-2-chloro-4-methylbenzamide
CID 106863546
N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride
CID 119506932
N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethoxybenzamide
CID 76948222
N-(3-azidopropyl)-4-bromo-2-fluorobenzamide
CID 61344699
2,4,5-trimethoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163070
2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide
CID 110763222
N-(3-azidopropyl)-2-chlorobenzamide
CID 61343976

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-2,4,5-trimethoxybenzamide?
The IUPAC name of N-(3-azidopropyl)-2,4,5-trimethoxybenzamide (CID 61344554) is N-(3-azidopropyl)-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(3-azidopropyl)-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-(3-azidopropyl)-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)NCCCN=[N+]=[N-])cc1OC.
What is the InChIKey of N-(3-azidopropyl)-2,4,5-trimethoxybenzamide?
The InChIKey is KQWZRJZQOHXXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-19-10-8-12(21-3)11(20-2)7-9(10)13(18)15-5-4-6-16-17-14/h7-8H,4-6H2,1-3H3,(H,15,18).
What are the key properties of N-(3-azidopropyl)-2,4,5-trimethoxybenzamide?
N-(3-azidopropyl)-2,4,5-trimethoxybenzamide has a molecular weight of 294.31 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 61344554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).