N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide

C16H25NO2 — CID 62366412

IUPACN-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
SMILESCc1ccccc1CCC(=O)N(CCCO)C(C)C
InChIInChI=1S/C16H25NO2/c1-13(2)17(11-6-12-18)16(19)10-9-15-8-5-4-7-14(15)3/h4-5,7-8,13,18H,6,9-12H2,1-3H3
InChIKeyJVDGIGOZNHMUBT-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.55
Rot. Bonds7

About N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide

N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide (PubChem CID 62366412) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
PubChem CID62366412
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
SMILESCc1ccccc1CCC(=O)N(CCCO)C(C)C
InChIInChI=1S/C16H25NO2/c1-13(2)17(11-6-12-18)16(19)10-9-15-8-5-4-7-14(15)3/h4-5,7-8,13,18H,6,9-12H2,1-3H3
InChIKeyJVDGIGOZNHMUBT-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide?
The IUPAC name of N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide (CID 62366412) is N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide?
The canonical SMILES for N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide is Cc1ccccc1CCC(=O)N(CCCO)C(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide?
The InChIKey is JVDGIGOZNHMUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)17(11-6-12-18)16(19)10-9-15-8-5-4-7-14(15)3/h4-5,7-8,13,18H,6,9-12H2,1-3H3.
What are the key properties of N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide?
N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide has a molecular weight of 263.38 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 62366412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).