N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide

C23H29N3O5 — CID 30544601

IUPACN-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(NC(=O)C(C)(C)C)c2)ccc1OC(C)C
InChIInChI=1S/C23H29N3O5/c1-14(2)31-18-11-10-16(13-19(18)30-6)21(28)26-25-20(27)15-8-7-9-17(12-15)24-22(29)23(3,4)5/h7-14H,1-6H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyFFCQUIFUZLXAMO-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.54
Rot. Bonds6

About N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide

N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 30544601) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
PubChem CID30544601
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC NameN-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(NC(=O)C(C)(C)C)c2)ccc1OC(C)C
InChIInChI=1S/C23H29N3O5/c1-14(2)31-18-11-10-16(13-19(18)30-6)21(28)26-25-20(27)15-8-7-9-17(12-15)24-22(29)23(3,4)5/h7-14H,1-6H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyFFCQUIFUZLXAMO-UHFFFAOYSA-N
XLogP3.54
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide
CID 873947
3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide
CID 8621873
3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide
CID 9160771
1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 18292224
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 26655741
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 8621899
N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide
CID 17489065
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide (CID 30544601) is N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide is COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)C(C)(C)C)c2)ccc1OC(C)C.
What is the InChIKey of N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is FFCQUIFUZLXAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-14(2)31-18-11-10-16(13-19(18)30-6)21(28)26-25-20(27)15-8-7-9-17(12-15)24-22(29)23(3,4)5/h7-14H,1-6H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide?
N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 427.50 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 30544601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).