N-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide

C17H28N2O2 — CID 109031931

IUPACN-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide
SMILESCC(C)CCNC(=O)CCNc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-13(2)9-11-19-17(20)10-12-18-15-5-7-16(8-6-15)21-14(3)4/h5-8,13-14,18H,9-12H2,1-4H3,(H,19,20)
InChIKeyBQFXLMGQRQQOFF-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.44
Rot. Bonds9

About N-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide

N-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide (PubChem CID 109031931) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide
PubChem CID109031931
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide
SMILESCC(C)CCNC(=O)CCNc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-13(2)9-11-19-17(20)10-12-18-15-5-7-16(8-6-15)21-14(3)4/h5-8,13-14,18H,9-12H2,1-4H3,(H,19,20)
InChIKeyBQFXLMGQRQQOFF-UHFFFAOYSA-N
XLogP3.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
CID 109025818
3-(N-acetyl-4-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
CID 113129869
3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109036370
2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide
CID 39364243
3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 109036983
3-(4-methoxyanilino)-N-propylpropanamide
CID 109011414
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide
CID 109031971
tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate
CID 115671145
N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112985174
N-butyl-3-(4-methoxyanilino)propanamide
CID 109012293
3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040218

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide?
The IUPAC name of N-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide (CID 109031931) is N-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide is CC(C)CCNC(=O)CCNc1ccc(OC(C)C)cc1.
What is the InChIKey of N-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide?
The InChIKey is BQFXLMGQRQQOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)9-11-19-17(20)10-12-18-15-5-7-16(8-6-15)21-14(3)4/h5-8,13-14,18H,9-12H2,1-4H3,(H,19,20).
What are the key properties of N-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide?
N-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide has a molecular weight of 292.42 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide is sourced from PubChem (CID 109031931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).