N-(tert-butylcarbamoyl)-2-(3,4,5-trimethoxyanilino)propanamide

C17H27N3O5 — CID 46666987

IUPACN-(tert-butylcarbamoyl)-2-(3,4,5-trimethoxyanilino)propanamide
SMILESCOc1cc(NC(C)C(=O)NC(=O)NC(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C17H27N3O5/c1-10(15(21)19-16(22)20-17(2,3)4)18-11-8-12(23-5)14(25-7)13(9-11)24-6/h8-10,18H,1-7H3,(H2,19,20,21,22)
InChIKeyXYIAKAVQVSZFFA-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.14
Rot. Bonds6

About N-(tert-butylcarbamoyl)-2-(3,4,5-trimethoxyanilino)propanamide

N-(tert-butylcarbamoyl)-2-(3,4,5-trimethoxyanilino)propanamide (PubChem CID 46666987) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(3,4,5-trimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(3,4,5-trimethoxyanilino)propanamide
PubChem CID46666987
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC NameN-(tert-butylcarbamoyl)-2-(3,4,5-trimethoxyanilino)propanamide
SMILESCOc1cc(NC(C)C(=O)NC(=O)NC(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C17H27N3O5/c1-10(15(21)19-16(22)20-17(2,3)4)18-11-8-12(23-5)14(25-7)13(9-11)24-6/h8-10,18H,1-7H3,(H2,19,20,21,22)
InChIKeyXYIAKAVQVSZFFA-UHFFFAOYSA-N
XLogP2.14
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.14
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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Related Compounds

N-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide
CID 18268062
(2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide
CID 35922476
(2S)-N-(tert-butylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide
CID 35969817
(2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide
CID 37329441
N-(tert-butylcarbamoyl)-2-(3,4-dimethylanilino)propanamide
CID 51242354
(2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 7928579
2,3-dibromo-N-[(3,4,5-trimethoxyphenyl)carbamoyl]butanamide
CID 21423279
N-tert-butyl-2-(3-chloro-4-methoxyanilino)propanamide
CID 43087356
N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 51167835
N-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 47005825
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide
CID 46667030
N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide
CID 43380765

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(3,4,5-trimethoxyanilino)propanamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(3,4,5-trimethoxyanilino)propanamide (CID 46666987) is N-(tert-butylcarbamoyl)-2-(3,4,5-trimethoxyanilino)propanamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(3,4,5-trimethoxyanilino)propanamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(3,4,5-trimethoxyanilino)propanamide is COc1cc(NC(C)C(=O)NC(=O)NC(C)(C)C)cc(OC)c1OC.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(3,4,5-trimethoxyanilino)propanamide?
The InChIKey is XYIAKAVQVSZFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5/c1-10(15(21)19-16(22)20-17(2,3)4)18-11-8-12(23-5)14(25-7)13(9-11)24-6/h8-10,18H,1-7H3,(H2,19,20,21,22).
What are the key properties of N-(tert-butylcarbamoyl)-2-(3,4,5-trimethoxyanilino)propanamide?
N-(tert-butylcarbamoyl)-2-(3,4,5-trimethoxyanilino)propanamide has a molecular weight of 353.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(3,4,5-trimethoxyanilino)propanamide is sourced from PubChem (CID 46666987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).