1-(4-methylphenyl)-2-[pentyl(propan-2-yl)amino]propan-1-one

C18H29NO — CID 63567711

IUPAC1-(4-methylphenyl)-2-[pentyl(propan-2-yl)amino]propan-1-one
SMILESCCCCCN(C(C)C)C(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C18H29NO/c1-6-7-8-13-19(14(2)3)16(5)18(20)17-11-9-15(4)10-12-17/h9-12,14,16H,6-8,13H2,1-5H3
InChIKeyOJMODGHGGPSCPI-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.47
Rot. Bonds8

About 1-(4-methylphenyl)-2-[pentyl(propan-2-yl)amino]propan-1-one

1-(4-methylphenyl)-2-[pentyl(propan-2-yl)amino]propan-1-one (PubChem CID 63567711) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[pentyl(propan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[pentyl(propan-2-yl)amino]propan-1-one
PubChem CID63567711
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(4-methylphenyl)-2-[pentyl(propan-2-yl)amino]propan-1-one
SMILESCCCCCN(C(C)C)C(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C18H29NO/c1-6-7-8-13-19(14(2)3)16(5)18(20)17-11-9-15(4)10-12-17/h9-12,14,16H,6-8,13H2,1-5H3
InChIKeyOJMODGHGGPSCPI-UHFFFAOYSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795382
2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 55000088
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 55010842
1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
CID 43796020
(2R,3S)-2,3-dihydroxy-1-(4-methylphenyl)heptan-1-one
CID 134930916
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 104552670
2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 43796890
3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 174749229
hexane;methyl 4-methylbenzoate
CID 143689226
2-[2-methoxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 82952096
2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 61427109
ethyl 3-methyl-4-(4-methylphenyl)-2,4-dioxobutanoate
CID 102581274

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[pentyl(propan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(4-methylphenyl)-2-[pentyl(propan-2-yl)amino]propan-1-one (CID 63567711) is 1-(4-methylphenyl)-2-[pentyl(propan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-2-[pentyl(propan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-2-[pentyl(propan-2-yl)amino]propan-1-one is CCCCCN(C(C)C)C(C)C(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[pentyl(propan-2-yl)amino]propan-1-one?
The InChIKey is OJMODGHGGPSCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-7-8-13-19(14(2)3)16(5)18(20)17-11-9-15(4)10-12-17/h9-12,14,16H,6-8,13H2,1-5H3.
What are the key properties of 1-(4-methylphenyl)-2-[pentyl(propan-2-yl)amino]propan-1-one?
1-(4-methylphenyl)-2-[pentyl(propan-2-yl)amino]propan-1-one has a molecular weight of 275.44 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[pentyl(propan-2-yl)amino]propan-1-one is sourced from PubChem (CID 63567711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).