N-pentan-2-yl-2-(4-propoxyanilino)acetamide

C16H26N2O2 — CID 62328507

IUPACN-pentan-2-yl-2-(4-propoxyanilino)acetamide
SMILESCCCOc1ccc(NCC(=O)NC(C)CCC)cc1
InChIInChI=1S/C16H26N2O2/c1-4-6-13(3)18-16(19)12-17-14-7-9-15(10-8-14)20-11-5-2/h7-10,13,17H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyKKEHDTOMIZXDJU-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.19
Rot. Bonds9

About N-pentan-2-yl-2-(4-propoxyanilino)acetamide

N-pentan-2-yl-2-(4-propoxyanilino)acetamide (PubChem CID 62328507) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-pentan-2-yl-2-(4-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-(4-propoxyanilino)acetamide
PubChem CID62328507
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-pentan-2-yl-2-(4-propoxyanilino)acetamide
SMILESCCCOc1ccc(NCC(=O)NC(C)CCC)cc1
InChIInChI=1S/C16H26N2O2/c1-4-6-13(3)18-16(19)12-17-14-7-9-15(10-8-14)20-11-5-2/h7-10,13,17H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyKKEHDTOMIZXDJU-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.19
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-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
2-(4-propoxyanilino)acetic acid
CID 15310375
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823902
2-(4-fluoroanilino)-N-(4-propoxyphenyl)acetamide
CID 54811098
2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide
CID 54820323
(2R)-1-(4-propoxyanilino)propan-2-ol
CID 106932070
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
2-(3-propan-2-yloxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54830279
N-(4-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820404
N-(3-acetamidophenyl)-2-(4-propoxyanilino)acetamide
CID 54822822

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-(4-propoxyanilino)acetamide?
The IUPAC name of N-pentan-2-yl-2-(4-propoxyanilino)acetamide (CID 62328507) is N-pentan-2-yl-2-(4-propoxyanilino)acetamide.
What is the SMILES notation for N-pentan-2-yl-2-(4-propoxyanilino)acetamide?
The canonical SMILES for N-pentan-2-yl-2-(4-propoxyanilino)acetamide is CCCOc1ccc(NCC(=O)NC(C)CCC)cc1.
What is the InChIKey of N-pentan-2-yl-2-(4-propoxyanilino)acetamide?
The InChIKey is KKEHDTOMIZXDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-6-13(3)18-16(19)12-17-14-7-9-15(10-8-14)20-11-5-2/h7-10,13,17H,4-6,11-12H2,1-3H3,(H,18,19).
What are the key properties of N-pentan-2-yl-2-(4-propoxyanilino)acetamide?
N-pentan-2-yl-2-(4-propoxyanilino)acetamide has a molecular weight of 278.40 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-(4-propoxyanilino)acetamide is sourced from PubChem (CID 62328507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).