N-[2-(ethylamino)ethyl]-3-propoxybenzamide

C14H22N2O2 — CID 62919691

IUPACN-[2-(ethylamino)ethyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCCNCC)c1
InChIInChI=1S/C14H22N2O2/c1-3-10-18-13-7-5-6-12(11-13)14(17)16-9-8-15-4-2/h5-7,11,15H,3-4,8-10H2,1-2H3,(H,16,17)
InChIKeyXTUYFFGHNPLCRD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.81
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-3-propoxybenzamide

N-[2-(ethylamino)ethyl]-3-propoxybenzamide (PubChem CID 62919691) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-propoxybenzamide
PubChem CID62919691
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-(ethylamino)ethyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCCNCC)c1
InChIInChI=1S/C14H22N2O2/c1-3-10-18-13-7-5-6-12(11-13)14(17)16-9-8-15-4-2/h5-7,11,15H,3-4,8-10H2,1-2H3,(H,16,17)
InChIKeyXTUYFFGHNPLCRD-UHFFFAOYSA-N
XLogP1.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)benzamide
CID 119504539
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
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-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119508535
N-(2-methylprop-2-enyl)-3-propoxybenzamide
CID 114618945
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide
CID 103767620

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-propoxybenzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-propoxybenzamide (CID 62919691) is N-[2-(ethylamino)ethyl]-3-propoxybenzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-propoxybenzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)NCCNCC)c1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-propoxybenzamide?
The InChIKey is XTUYFFGHNPLCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-10-18-13-7-5-6-12(11-13)14(17)16-9-8-15-4-2/h5-7,11,15H,3-4,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(ethylamino)ethyl]-3-propoxybenzamide?
N-[2-(ethylamino)ethyl]-3-propoxybenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-propoxybenzamide is sourced from PubChem (CID 62919691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).