4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide

C24H33N3O4 — CID 15340521

IUPAC4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCOc2ccc(C(=O)N(CC)CC)cc2OC)cc1
InChIInChI=1S/C24H33N3O4/c1-4-27(5-2)24(28)19-11-14-21(22(17-19)29-3)31-16-8-6-7-15-30-20-12-9-18(10-13-20)23(25)26/h9-14,17H,4-8,15-16H2,1-3H3,(H3,25,26)
InChIKeyLPQRSFJPNIBZST-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.09
Rot. Bonds13

About 4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide

4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide (PubChem CID 15340521) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide.

Molecular Properties

Compound Name4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide
PubChem CID15340521
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCOc2ccc(C(=O)N(CC)CC)cc2OC)cc1
InChIInChI=1S/C24H33N3O4/c1-4-27(5-2)24(28)19-11-14-21(22(17-19)29-3)31-16-8-6-7-15-30-20-12-9-18(10-13-20)23(25)26/h9-14,17H,4-8,15-16H2,1-3H3,(H3,25,26)
InChIKeyLPQRSFJPNIBZST-UHFFFAOYSA-N
XLogP4.09
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
CID 67744802
4-[5-(4-carbamimidoylphenoxy)pentoxy]-3-methoxy-N,N-di(propan-2-yl)benzamide;2-hydroxyethanesulfonic acid
CID 18991679
4-[2-(2-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61300207
4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide
CID 19794906
3-methoxy-4-propoxybenzenecarboximidamide
CID 24709016
4-octoxybenzenecarboximidamide
CID 3302492
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide
CID 142639008
N-[4-[5-[4-[di(propan-2-yl)carbamoyl]-2-methoxyphenoxy]pentoxy]benzenecarboximidoyl]-3,4-dimethoxybenzamide
CID 152771650
4-butoxybenzenecarboximidamide
CID 3015454
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide?
The IUPAC name of 4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide (CID 15340521) is 4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide.
What is the SMILES notation for 4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide?
The canonical SMILES for 4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide is [H]/N=C(\N)c1ccc(OCCCCCOc2ccc(C(=O)N(CC)CC)cc2OC)cc1.
What is the InChIKey of 4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide?
The InChIKey is LPQRSFJPNIBZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-4-27(5-2)24(28)19-11-14-21(22(17-19)29-3)31-16-8-6-7-15-30-20-12-9-18(10-13-20)23(25)26/h9-14,17H,4-8,15-16H2,1-3H3,(H3,25,26).
What are the key properties of 4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide?
4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide has a molecular weight of 427.55 g/mol, XLogP of 4.09, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide is sourced from PubChem (CID 15340521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).