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

C20H23N3O5 — CID 17353591

IUPACN-[4-[[[4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCOC)cc2)cc1
InChIInChI=1S/C20H23N3O5/c1-3-18(24)21-16-8-4-14(5-9-16)19(25)22-23-20(26)15-6-10-17(11-7-15)28-13-12-27-2/h4-11H,3,12-13H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyMAQBUVUUCIORER-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.14
Rot. Bonds8

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

N-[4-[[[4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide (PubChem CID 17353591) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[4-[[[4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[[4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
PubChem CID17353591
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-[4-[[[4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCOC)cc2)cc1
InChIInChI=1S/C20H23N3O5/c1-3-18(24)21-16-8-4-14(5-9-16)19(25)22-23-20(26)15-6-10-17(11-7-15)28-13-12-27-2/h4-11H,3,12-13H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyMAQBUVUUCIORER-UHFFFAOYSA-N
XLogP2.14
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.14
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

4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4938631
N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 46441939
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide
CID 54790881
methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate
CID 28638031
4-(2-methoxyethoxy)-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]benzamide
CID 17353952
N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4948723
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 60758701
N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide
CID 4948474
N-[4-(diethylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 15943191
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 4933763

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[[[4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide (CID 17353591) is N-[4-[[[4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[[[4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[[[4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCOC)cc2)cc1.
What is the InChIKey of N-[4-[[[4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide?
The InChIKey is MAQBUVUUCIORER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-3-18(24)21-16-8-4-14(5-9-16)19(25)22-23-20(26)15-6-10-17(11-7-15)28-13-12-27-2/h4-11H,3,12-13H2,1-2H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[4-[[[4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide?
N-[4-[[[4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide has a molecular weight of 385.42 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide is sourced from PubChem (CID 17353591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).