N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide

C18H28N2O2 — CID 119811574

IUPACN-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide
SMILESCCC(C)Oc1cc(C)ccc1CNC(=O)CNCC1CC1
InChIInChI=1S/C18H28N2O2/c1-4-14(3)22-17-9-13(2)5-8-16(17)11-20-18(21)12-19-10-15-6-7-15/h5,8-9,14-15,19H,4,6-7,10-12H2,1-3H3,(H,20,21)
InChIKeyOJZCCZTUWLKQSJ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.79
Rot. Bonds9

About N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide

N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide (PubChem CID 119811574) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide
PubChem CID119811574
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide
SMILESCCC(C)Oc1cc(C)ccc1CNC(=O)CNCC1CC1
InChIInChI=1S/C18H28N2O2/c1-4-14(3)22-17-9-13(2)5-8-16(17)11-20-18(21)12-19-10-15-6-7-15/h5,8-9,14-15,19H,4,6-7,10-12H2,1-3H3,(H,20,21)
InChIKeyOJZCCZTUWLKQSJ-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-[(2-methoxy-4-methylphenyl)methyl]acetamide
CID 119808693
4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide
CID 120563702
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016193
3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119811561
4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]butanamide
CID 119339581
2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride
CID 119812552
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795636
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119339576
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120992363
N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
CID 119339701
N-[[2-[(2S)-butan-2-yl]oxy-4-methylphenyl]methyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 124572667
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187

Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide (CID 119811574) is N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide is CCC(C)Oc1cc(C)ccc1CNC(=O)CNCC1CC1.
What is the InChIKey of N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide?
The InChIKey is OJZCCZTUWLKQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-14(3)22-17-9-13(2)5-8-16(17)11-20-18(21)12-19-10-15-6-7-15/h5,8-9,14-15,19H,4,6-7,10-12H2,1-3H3,(H,20,21).
What are the key properties of N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide?
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 119811574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).