3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide

C22H28N2O4 — CID 4960567

IUPAC3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
SMILESCCCOc1cccc(C(=O)NCCNC(=O)c2cccc(OCCC)c2)c1
InChIInChI=1S/C22H28N2O4/c1-3-13-27-19-9-5-7-17(15-19)21(25)23-11-12-24-22(26)18-8-6-10-20(16-18)28-14-4-2/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyFUUUXTCRHWZVPO-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.42
Rot. Bonds11

About 3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide

3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide (PubChem CID 4960567) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
PubChem CID4960567
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
SMILESCCCOc1cccc(C(=O)NCCNC(=O)c2cccc(OCCC)c2)c1
InChIInChI=1S/C22H28N2O4/c1-3-13-27-19-9-5-7-17(15-19)21(25)23-11-12-24-22(26)18-8-6-10-20(16-18)28-14-4-2/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyFUUUXTCRHWZVPO-UHFFFAOYSA-N
XLogP3.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-[2-(ethylamino)ethyl]-3-propoxybenzamide
CID 62919691
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 2988749
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N-(3-cyanopropyl)-3-propoxybenzamide
CID 62920708
N-pent-3-ynyl-3-propoxybenzamide
CID 115977193
N-(3-chlorobutyl)-3-propoxybenzamide
CID 114301736
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)benzamide
CID 119504539
N-(2-methylprop-2-enyl)-3-propoxybenzamide
CID 114618945
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide
CID 103767620
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
N-(5-chloro-4-methylpentyl)-3-propoxybenzamide
CID 106157174

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide?
The IUPAC name of 3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide (CID 4960567) is 3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide is CCCOc1cccc(C(=O)NCCNC(=O)c2cccc(OCCC)c2)c1.
What is the InChIKey of 3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide?
The InChIKey is FUUUXTCRHWZVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-3-13-27-19-9-5-7-17(15-19)21(25)23-11-12-24-22(26)18-8-6-10-20(16-18)28-14-4-2/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide?
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.42, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 4960567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).