2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide

C15H20N4O3 — CID 52910224

IUPAC2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide
SMILESCc1ccccc1C1(CNC(=O)NC(C(N)=O)C(N)=O)CC1
InChIInChI=1S/C15H20N4O3/c1-9-4-2-3-5-10(9)15(6-7-15)8-18-14(22)19-11(12(16)20)13(17)21/h2-5,11H,6-8H2,1H3,(H2,16,20)(H2,17,21)(H2,18,19,22)
InChIKeyAQOPXWRGWOCDFF-UHFFFAOYSA-N
MW304.35 g/mol
LogP-0.33
Rot. Bonds6

About 2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide

2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide (PubChem CID 52910224) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide.

Molecular Properties

Compound Name2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide
PubChem CID52910224
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide
SMILESCc1ccccc1C1(CNC(=O)NC(C(N)=O)C(N)=O)CC1
InChIInChI=1S/C15H20N4O3/c1-9-4-2-3-5-10(9)15(6-7-15)8-18-14(22)19-11(12(16)20)13(17)21/h2-5,11H,6-8H2,1H3,(H2,16,20)(H2,17,21)(H2,18,19,22)
InChIKeyAQOPXWRGWOCDFF-UHFFFAOYSA-N
XLogP-0.33
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 110928186
2-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119315817
1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
CID 119315839
1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea
CID 110904185
1-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 110922755
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride
CID 120500104
1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
CID 71869916
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide
CID 119770278
N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119315824
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
CID 119749830
3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid
CID 139017034

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide?
The IUPAC name of 2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide (CID 52910224) is 2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide.
What is the SMILES notation for 2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide?
The canonical SMILES for 2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide is Cc1ccccc1C1(CNC(=O)NC(C(N)=O)C(N)=O)CC1.
What is the InChIKey of 2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide?
The InChIKey is AQOPXWRGWOCDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-9-4-2-3-5-10(9)15(6-7-15)8-18-14(22)19-11(12(16)20)13(17)21/h2-5,11H,6-8H2,1H3,(H2,16,20)(H2,17,21)(H2,18,19,22).
What are the key properties of 2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide?
2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide has a molecular weight of 304.35 g/mol, XLogP of -0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide is sourced from PubChem (CID 52910224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).