N-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide

C22H29N3O5 — CID 18268062

IUPACN-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide
SMILESCOc1ccc(Oc2cc(NC(C)C(=O)NC(=O)NC(C)(C)C)ccc2OC)cc1
InChIInChI=1S/C22H29N3O5/c1-14(20(26)24-21(27)25-22(2,3)4)23-15-7-12-18(29-6)19(13-15)30-17-10-8-16(28-5)9-11-17/h7-14,23H,1-6H3,(H2,24,25,26,27)
InChIKeyOOTAYMWWQCAJLT-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.92
Rot. Bonds7

About N-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide

N-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide (PubChem CID 18268062) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide
PubChem CID18268062
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC NameN-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide
SMILESCOc1ccc(Oc2cc(NC(C)C(=O)NC(=O)NC(C)(C)C)ccc2OC)cc1
InChIInChI=1S/C22H29N3O5/c1-14(20(26)24-21(27)25-22(2,3)4)23-15-7-12-18(29-6)19(13-15)30-17-10-8-16(28-5)9-11-17/h7-14,23H,1-6H3,(H2,24,25,26,27)
InChIKeyOOTAYMWWQCAJLT-UHFFFAOYSA-N
XLogP3.92
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide (CID 18268062) is N-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide is COc1ccc(Oc2cc(NC(C)C(=O)NC(=O)NC(C)(C)C)ccc2OC)cc1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide?
The InChIKey is OOTAYMWWQCAJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-14(20(26)24-21(27)25-22(2,3)4)23-15-7-12-18(29-6)19(13-15)30-17-10-8-16(28-5)9-11-17/h7-14,23H,1-6H3,(H2,24,25,26,27).
What are the key properties of N-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide?
N-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide has a molecular weight of 415.49 g/mol, XLogP of 3.92, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide is sourced from PubChem (CID 18268062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).