N-[4-(morpholin-4-ylmethyl)phenyl]-3-propan-2-yloxybenzamide

C21H26N2O3 — CID 979227

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-16(2)26-20-5-3-4-18(14-20)21(24)22-19-8-6-17(7-9-19)15-23-10-12-25-13-11-23/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,24)
InChIKeyDPYWJWDTECHSQN-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.56
Rot. Bonds6

About N-[4-(morpholin-4-ylmethyl)phenyl]-3-propan-2-yloxybenzamide

N-[4-(morpholin-4-ylmethyl)phenyl]-3-propan-2-yloxybenzamide (PubChem CID 979227) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-3-propan-2-yloxybenzamide
PubChem CID979227
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-16(2)26-20-5-3-4-18(14-20)21(24)22-19-8-6-17(7-9-19)15-23-10-12-25-13-11-23/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,24)
InChIKeyDPYWJWDTECHSQN-UHFFFAOYSA-N
XLogP3.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-3-propan-2-yloxybenzamide (CID 979227) is N-[4-(morpholin-4-ylmethyl)phenyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-3-propan-2-yloxybenzamide?
The InChIKey is DPYWJWDTECHSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16(2)26-20-5-3-4-18(14-20)21(24)22-19-8-6-17(7-9-19)15-23-10-12-25-13-11-23/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-3-propan-2-yloxybenzamide?
N-[4-(morpholin-4-ylmethyl)phenyl]-3-propan-2-yloxybenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 979227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).