2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide

C17H26N2O — CID 119795542

IUPAC2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
SMILESCc1ccc(CC(C)N(C)C(=O)CNCC2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-13-4-6-15(7-5-13)10-14(2)19(3)17(20)12-18-11-16-8-9-16/h4-7,14,16,18H,8-12H2,1-3H3
InChIKeyPCQOIXUXVDDSNR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.38
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide

2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide (PubChem CID 119795542) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
PubChem CID119795542
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
SMILESCc1ccc(CC(C)N(C)C(=O)CNCC2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-13-4-6-15(7-5-13)10-14(2)19(3)17(20)12-18-11-16-8-9-16/h4-7,14,16,18H,8-12H2,1-3H3
InChIKeyPCQOIXUXVDDSNR-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide (CID 119795542) is 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide is Cc1ccc(CC(C)N(C)C(=O)CNCC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide?
The InChIKey is PCQOIXUXVDDSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-4-6-15(7-5-13)10-14(2)19(3)17(20)12-18-11-16-8-9-16/h4-7,14,16,18H,8-12H2,1-3H3.
What are the key properties of 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide?
2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide has a molecular weight of 274.41 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 119795542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).