2-(dimethylcarbamoylamino)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]acetamide

C16H23N3O2 — CID 122567958

IUPAC2-(dimethylcarbamoylamino)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]acetamide
SMILESCc1cccc(CC2(NC(=O)CNC(=O)N(C)C)CC2)c1
InChIInChI=1S/C16H23N3O2/c1-12-5-4-6-13(9-12)10-16(7-8-16)18-14(20)11-17-15(21)19(2)3/h4-6,9H,7-8,10-11H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyMTRKUXCDDJDKOM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.46
Rot. Bonds5

About 2-(dimethylcarbamoylamino)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]acetamide

2-(dimethylcarbamoylamino)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]acetamide (PubChem CID 122567958) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]acetamide.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]acetamide
PubChem CID122567958
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(dimethylcarbamoylamino)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]acetamide
SMILESCc1cccc(CC2(NC(=O)CNC(=O)N(C)C)CC2)c1
InChIInChI=1S/C16H23N3O2/c1-12-5-4-6-13(9-12)10-16(7-8-16)18-14(20)11-17-15(21)19(2)3/h4-6,9H,7-8,10-11H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyMTRKUXCDDJDKOM-UHFFFAOYSA-N
XLogP1.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 77080296
N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72877829
1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide
CID 72857651
N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide
CID 91455018
methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929872
2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide
CID 166418624
N-methyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 82127246
1,1-dimethyl-3-[[3-[(methylcarbamoylamino)methyl]phenyl]methyl]urea
CID 139316626
1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975048
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
2-methyl-3-[methyl-[(3-methylphenyl)methylcarbamoyl]amino]propanoic acid
CID 55007666
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]acetamide?
The IUPAC name of 2-(dimethylcarbamoylamino)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]acetamide (CID 122567958) is 2-(dimethylcarbamoylamino)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]acetamide.
What is the SMILES notation for 2-(dimethylcarbamoylamino)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]acetamide?
The canonical SMILES for 2-(dimethylcarbamoylamino)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]acetamide is Cc1cccc(CC2(NC(=O)CNC(=O)N(C)C)CC2)c1.
What is the InChIKey of 2-(dimethylcarbamoylamino)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]acetamide?
The InChIKey is MTRKUXCDDJDKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-5-4-6-13(9-12)10-16(7-8-16)18-14(20)11-17-15(21)19(2)3/h4-6,9H,7-8,10-11H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of 2-(dimethylcarbamoylamino)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]acetamide?
2-(dimethylcarbamoylamino)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]acetamide is sourced from PubChem (CID 122567958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).