N-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide

C21H25N3O5 — CID 17122839

IUPACN-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
SMILESCCOCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)CC)cc1
InChIInChI=1S/C21H25N3O5/c1-3-19(25)22-16-11-9-15(10-12-16)20(26)23-24-21(27)17-7-5-6-8-18(17)29-14-13-28-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyGAPJHWHLGIIAQM-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.53
Rot. Bonds9

About N-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide

N-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide (PubChem CID 17122839) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
PubChem CID17122839
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
SMILESCCOCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)CC)cc1
InChIInChI=1S/C21H25N3O5/c1-3-19(25)22-16-11-9-15(10-12-16)20(26)23-24-21(27)17-7-5-6-8-18(17)29-14-13-28-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyGAPJHWHLGIIAQM-UHFFFAOYSA-N
XLogP2.53
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 4943982
2-(2-ethoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188354
2-(2-phenoxyethoxy)-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide
CID 4954751
N-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide
CID 4948430
2-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17122908
2-(2-ethoxyethoxy)-N'-(4-hexoxybenzoyl)benzohydrazide
CID 17122913
2-(2-ethoxyethoxy)-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]benzamide
CID 17123195
N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 4926581
2-ethoxy-N-[4-(propanoylamino)phenyl]benzamide
CID 17204882
N'-(2-ethoxyacetyl)-2-(2-methoxyethoxy)benzohydrazide
CID 17140943
2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]benzamide
CID 17130609
2-methyl-N-[4-[[[2-(2-phenoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 4954512

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide (CID 17122839) is N-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide is CCOCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)CC)cc1.
What is the InChIKey of N-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide?
The InChIKey is GAPJHWHLGIIAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-3-19(25)22-16-11-9-15(10-12-16)20(26)23-24-21(27)17-7-5-6-8-18(17)29-14-13-28-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide?
N-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide has a molecular weight of 399.45 g/mol, XLogP of 2.53, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide is sourced from PubChem (CID 17122839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).