N-[2-(3-tert-butylanilino)ethyl]acetamide

C14H22N2O — CID 59090695

IUPACN-[2-(3-tert-butylanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H22N2O/c1-11(17)15-8-9-16-13-7-5-6-12(10-13)14(2,3)4/h5-7,10,16H,8-9H2,1-4H3,(H,15,17)
InChIKeyFPPGIJWLOPCXBA-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.53
Rot. Bonds4

About N-[2-(3-tert-butylanilino)ethyl]acetamide

N-[2-(3-tert-butylanilino)ethyl]acetamide (PubChem CID 59090695) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[2-(3-tert-butylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-tert-butylanilino)ethyl]acetamide
PubChem CID59090695
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[2-(3-tert-butylanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H22N2O/c1-11(17)15-8-9-16-13-7-5-6-12(10-13)14(2,3)4/h5-7,10,16H,8-9H2,1-4H3,(H,15,17)
InChIKeyFPPGIJWLOPCXBA-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-ethynylanilino)ethyl]acetamide
CID 107529030
2-(3-tert-butylanilino)acetamide
CID 59090676
N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide
CID 107529384
4-(2-acetamidoethylamino)benzoic acid
CID 62231212
1-(3-tert-butylphenyl)-3-(2-chloroethyl)urea
CID 58646068
N-(2-acetamidoethyl)-2-methyl-2-phenylpropanamide
CID 110678562
N-[2-(4-phenylanilino)ethyl]acetamide
CID 103604100
3-[(3-tert-butylphenyl)carbamoylamino]propanoic acid
CID 67975455
N-[2-[4-bromo-3-(trifluoromethyl)anilino]ethyl]acetamide
CID 103604165
N-[2-(4-acetylanilino)ethyl]acetamide
CID 115573849
N-[2-(3,5-dichloroanilino)ethyl]acetamide
CID 82539545
N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 28684436

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-tert-butylanilino)ethyl]acetamide?
The IUPAC name of N-[2-(3-tert-butylanilino)ethyl]acetamide (CID 59090695) is N-[2-(3-tert-butylanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-tert-butylanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(3-tert-butylanilino)ethyl]acetamide is CC(=O)NCCNc1cccc(C(C)(C)C)c1.
What is the InChIKey of N-[2-(3-tert-butylanilino)ethyl]acetamide?
The InChIKey is FPPGIJWLOPCXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(17)15-8-9-16-13-7-5-6-12(10-13)14(2,3)4/h5-7,10,16H,8-9H2,1-4H3,(H,15,17).
What are the key properties of N-[2-(3-tert-butylanilino)ethyl]acetamide?
N-[2-(3-tert-butylanilino)ethyl]acetamide has a molecular weight of 234.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-tert-butylanilino)ethyl]acetamide is sourced from PubChem (CID 59090695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).