4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide

C14H21N3O3 — CID 62833618

IUPAC4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide
SMILESCCNCCC(=O)Nc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C14H21N3O3/c1-2-15-8-7-13(19)17-12-5-3-11(4-6-12)14(20)16-9-10-18/h3-6,15,18H,2,7-10H2,1H3,(H,16,20)(H,17,19)
InChIKeyRTROZQNICQJDTD-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.35
Rot. Bonds8

About 4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide

4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide (PubChem CID 62833618) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide
PubChem CID62833618
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide
SMILESCCNCCC(=O)Nc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C14H21N3O3/c1-2-15-8-7-13(19)17-12-5-3-11(4-6-12)14(20)16-9-10-18/h3-6,15,18H,2,7-10H2,1H3,(H,16,20)(H,17,19)
InChIKeyRTROZQNICQJDTD-UHFFFAOYSA-N
XLogP0.35
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide
CID 62835672
4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide
CID 107908924
4-[(2-aminoacetyl)amino]-N-(2-hydroxyethyl)benzamide
CID 43710446
4-[(2-ethoxyacetyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64590775
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64683641
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
methyl N-[4-[3-(ethylamino)propanoylamino]phenyl]carbamate
CID 62831983
N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide
CID 54818586

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide (CID 62833618) is 4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide is CCNCCC(=O)Nc1ccc(C(=O)NCCO)cc1.
What is the InChIKey of 4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is RTROZQNICQJDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-15-8-7-13(19)17-12-5-3-11(4-6-12)14(20)16-9-10-18/h3-6,15,18H,2,7-10H2,1H3,(H,16,20)(H,17,19).
What are the key properties of 4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide?
4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.35, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 62833618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).