1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea

C20H24N4O5 — CID 18292224

IUPAC1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
SMILESCOc1cc(C(=O)NNC(=O)CNC(=O)Nc2ccccc2)ccc1OC(C)C
InChIInChI=1S/C20H24N4O5/c1-13(2)29-16-10-9-14(11-17(16)28-3)19(26)24-23-18(25)12-21-20(27)22-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,23,25)(H,24,26)(H2,21,22,27)
InChIKeyQJCRJONMYYSBLD-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.07
Rot. Bonds7

About 1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea

1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea (PubChem CID 18292224) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
PubChem CID18292224
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Name1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
SMILESCOc1cc(C(=O)NNC(=O)CNC(=O)Nc2ccccc2)ccc1OC(C)C
InChIInChI=1S/C20H24N4O5/c1-13(2)29-16-10-9-14(11-17(16)28-3)19(26)24-23-18(25)12-21-20(27)22-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,23,25)(H,24,26)(H2,21,22,27)
InChIKeyQJCRJONMYYSBLD-UHFFFAOYSA-N
XLogP2.07
TPSA117.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbutanamide
CID 55930339
3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide
CID 7972010
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide
CID 55348617
N-(4-methoxyphenyl)-2-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 46521462
3-methoxy-N'-[2-(2-methylphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 8621917
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 46422657
N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
CID 30544601
N'-[2-[(2-chlorophenyl)methoxy]acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 55789099

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea?
The IUPAC name of 1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea (CID 18292224) is 1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea is COc1cc(C(=O)NNC(=O)CNC(=O)Nc2ccccc2)ccc1OC(C)C.
What is the InChIKey of 1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea?
The InChIKey is QJCRJONMYYSBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-13(2)29-16-10-9-14(11-17(16)28-3)19(26)24-23-18(25)12-21-20(27)22-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,23,25)(H,24,26)(H2,21,22,27).
What are the key properties of 1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea?
1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea has a molecular weight of 400.44 g/mol, XLogP of 2.07, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea is sourced from PubChem (CID 18292224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).