N-[4-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]phenyl]acetamide

C15H18N4O2 — CID 138390834

IUPACN-[4-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]phenyl]acetamide
SMILES[H]/N=C1\NC(=O)N(CC2CC2)C1c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H18N4O2/c1-9(20)17-12-6-4-11(5-7-12)13-14(16)18-15(21)19(13)8-10-2-3-10/h4-7,10,13H,2-3,8H2,1H3,(H,17,20)(H2,16,18,21)
InChIKeyYKFLSLLHWVEZDB-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.10
Rot. Bonds4

About N-[4-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]phenyl]acetamide

N-[4-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]phenyl]acetamide (PubChem CID 138390834) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[4-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]phenyl]acetamide
PubChem CID138390834
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-[4-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]phenyl]acetamide
SMILES[H]/N=C1\NC(=O)N(CC2CC2)C1c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H18N4O2/c1-9(20)17-12-6-4-11(5-7-12)13-14(16)18-15(21)19(13)8-10-2-3-10/h4-7,10,13H,2-3,8H2,1H3,(H,17,20)(H2,16,18,21)
InChIKeyYKFLSLLHWVEZDB-UHFFFAOYSA-N
XLogP2.10
TPSA85.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]phenyl]acetamide (CID 138390834) is N-[4-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]phenyl]acetamide is [H]/N=C1\NC(=O)N(CC2CC2)C1c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]phenyl]acetamide?
The InChIKey is YKFLSLLHWVEZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9(20)17-12-6-4-11(5-7-12)13-14(16)18-15(21)19(13)8-10-2-3-10/h4-7,10,13H,2-3,8H2,1H3,(H,17,20)(H2,16,18,21).
What are the key properties of N-[4-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]phenyl]acetamide?
N-[4-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]phenyl]acetamide has a molecular weight of 286.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 138390834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).