N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide

C18H30N4O2 — CID 113062291

IUPACN-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
SMILESCCN(CC)c1ccc(N(CCNC(=O)NC(C)C)C(C)=O)cc1
InChIInChI=1S/C18H30N4O2/c1-6-21(7-2)16-8-10-17(11-9-16)22(15(5)23)13-12-19-18(24)20-14(3)4/h8-11,14H,6-7,12-13H2,1-5H3,(H2,19,20,24)
InChIKeyYPZJKAKDFNNWJA-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.59
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide

N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide (PubChem CID 113062291) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
PubChem CID113062291
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
SMILESCCN(CC)c1ccc(N(CCNC(=O)NC(C)C)C(C)=O)cc1
InChIInChI=1S/C18H30N4O2/c1-6-21(7-2)16-8-10-17(11-9-16)22(15(5)23)13-12-19-18(24)20-14(3)4/h8-11,14H,6-7,12-13H2,1-5H3,(H2,19,20,24)
InChIKeyYPZJKAKDFNNWJA-UHFFFAOYSA-N
XLogP2.59
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113058454
N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113058034
N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113062524
N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113060111
N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113060254
3-[N-acetyl-4-(diethylamino)anilino]propanoic acid
CID 82320400
N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 113064473
N-[2-[N-acetyl-4-(diethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113062279
2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide
CID 113176823
N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113059769
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide
CID 113057534
N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059339

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide (CID 113062291) is N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide is CCN(CC)c1ccc(N(CCNC(=O)NC(C)C)C(C)=O)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The InChIKey is YPZJKAKDFNNWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-6-21(7-2)16-8-10-17(11-9-16)22(15(5)23)13-12-19-18(24)20-14(3)4/h8-11,14H,6-7,12-13H2,1-5H3,(H2,19,20,24).
What are the key properties of N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide has a molecular weight of 334.46 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 113062291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).