N-[3-[bis(3-methylbutyl)carbamoylamino]phenyl]-2-methoxyacetamide

C20H33N3O3 — CID 55697276

IUPACN-[3-[bis(3-methylbutyl)carbamoylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(NC(=O)N(CCC(C)C)CCC(C)C)c1
InChIInChI=1S/C20H33N3O3/c1-15(2)9-11-23(12-10-16(3)4)20(25)22-18-8-6-7-17(13-18)21-19(24)14-26-5/h6-8,13,15-16H,9-12,14H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyUPBODVWYWMQIGR-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.20
Rot. Bonds10

About N-[3-[bis(3-methylbutyl)carbamoylamino]phenyl]-2-methoxyacetamide

N-[3-[bis(3-methylbutyl)carbamoylamino]phenyl]-2-methoxyacetamide (PubChem CID 55697276) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[3-[bis(3-methylbutyl)carbamoylamino]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[bis(3-methylbutyl)carbamoylamino]phenyl]-2-methoxyacetamide
PubChem CID55697276
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC NameN-[3-[bis(3-methylbutyl)carbamoylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(NC(=O)N(CCC(C)C)CCC(C)C)c1
InChIInChI=1S/C20H33N3O3/c1-15(2)9-11-23(12-10-16(3)4)20(25)22-18-8-6-7-17(13-18)21-19(24)14-26-5/h6-8,13,15-16H,9-12,14H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyUPBODVWYWMQIGR-UHFFFAOYSA-N
XLogP4.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113122930
2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113166581
2-methoxy-N-[3-(2-methylpentan-3-ylamino)phenyl]acetamide
CID 43784507
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N-[3-(1-cyclopropylethylamino)phenyl]-2-methoxyacetamide
CID 43713200
2-[acetyl(3-methylbutyl)amino]-N-(3-methylphenyl)acetamide
CID 113166543
3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea
CID 61418847
2-(2,6-difluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 84594498
1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
CID 25175472
N-(3-tert-butylphenyl)-2-methoxyacetamide
CID 59139856
(2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide
CID 95616058
N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methoxyacetamide
CID 43713201

Frequently Asked Questions

What is the IUPAC name of N-[3-[bis(3-methylbutyl)carbamoylamino]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[bis(3-methylbutyl)carbamoylamino]phenyl]-2-methoxyacetamide (CID 55697276) is N-[3-[bis(3-methylbutyl)carbamoylamino]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[bis(3-methylbutyl)carbamoylamino]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[bis(3-methylbutyl)carbamoylamino]phenyl]-2-methoxyacetamide is COCC(=O)Nc1cccc(NC(=O)N(CCC(C)C)CCC(C)C)c1.
What is the InChIKey of N-[3-[bis(3-methylbutyl)carbamoylamino]phenyl]-2-methoxyacetamide?
The InChIKey is UPBODVWYWMQIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-15(2)9-11-23(12-10-16(3)4)20(25)22-18-8-6-7-17(13-18)21-19(24)14-26-5/h6-8,13,15-16H,9-12,14H2,1-5H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-[bis(3-methylbutyl)carbamoylamino]phenyl]-2-methoxyacetamide?
N-[3-[bis(3-methylbutyl)carbamoylamino]phenyl]-2-methoxyacetamide has a molecular weight of 363.50 g/mol, XLogP of 4.20, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis(3-methylbutyl)carbamoylamino]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 55697276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).