2-[4-[[(3R)-3-[ethyl(methyl)amino]butyl]carbamoyl]phenyl]-N-methylbenzamide

C22H29N3O2 — CID 126432805

IUPAC2-[4-[[(3R)-3-[ethyl(methyl)amino]butyl]carbamoyl]phenyl]-N-methylbenzamide
SMILESCCN(C)[C@H](C)CCNC(=O)c1ccc(-c2ccccc2C(=O)NC)cc1
InChIInChI=1S/C22H29N3O2/c1-5-25(4)16(2)14-15-24-21(26)18-12-10-17(11-13-18)19-8-6-7-9-20(19)22(27)23-3/h6-13,16H,5,14-15H2,1-4H3,(H,23,27)(H,24,26)/t16-/m1/s1
InChIKeyQEHGIFYDERRCME-MRXNPFEDSA-N
MW367.49 g/mol
LogP3.17
Rot. Bonds8

About 2-[4-[[(3R)-3-[ethyl(methyl)amino]butyl]carbamoyl]phenyl]-N-methylbenzamide

2-[4-[[(3R)-3-[ethyl(methyl)amino]butyl]carbamoyl]phenyl]-N-methylbenzamide (PubChem CID 126432805) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[4-[[(3R)-3-[ethyl(methyl)amino]butyl]carbamoyl]phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[4-[[(3R)-3-[ethyl(methyl)amino]butyl]carbamoyl]phenyl]-N-methylbenzamide
PubChem CID126432805
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-[4-[[(3R)-3-[ethyl(methyl)amino]butyl]carbamoyl]phenyl]-N-methylbenzamide
SMILESCCN(C)[C@H](C)CCNC(=O)c1ccc(-c2ccccc2C(=O)NC)cc1
InChIInChI=1S/C22H29N3O2/c1-5-25(4)16(2)14-15-24-21(26)18-12-10-17(11-13-18)19-8-6-7-9-20(19)22(27)23-3/h6-13,16H,5,14-15H2,1-4H3,(H,23,27)(H,24,26)/t16-/m1/s1
InChIKeyQEHGIFYDERRCME-MRXNPFEDSA-N
XLogP3.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3R)-3-[ethyl(methyl)amino]butyl]carbamoyl]phenyl]-N-methylbenzamide?
The IUPAC name of 2-[4-[[(3R)-3-[ethyl(methyl)amino]butyl]carbamoyl]phenyl]-N-methylbenzamide (CID 126432805) is 2-[4-[[(3R)-3-[ethyl(methyl)amino]butyl]carbamoyl]phenyl]-N-methylbenzamide.
What is the SMILES notation for 2-[4-[[(3R)-3-[ethyl(methyl)amino]butyl]carbamoyl]phenyl]-N-methylbenzamide?
The canonical SMILES for 2-[4-[[(3R)-3-[ethyl(methyl)amino]butyl]carbamoyl]phenyl]-N-methylbenzamide is CCN(C)[C@H](C)CCNC(=O)c1ccc(-c2ccccc2C(=O)NC)cc1.
What is the InChIKey of 2-[4-[[(3R)-3-[ethyl(methyl)amino]butyl]carbamoyl]phenyl]-N-methylbenzamide?
The InChIKey is QEHGIFYDERRCME-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-25(4)16(2)14-15-24-21(26)18-12-10-17(11-13-18)19-8-6-7-9-20(19)22(27)23-3/h6-13,16H,5,14-15H2,1-4H3,(H,23,27)(H,24,26)/t16-/m1/s1.
What are the key properties of 2-[4-[[(3R)-3-[ethyl(methyl)amino]butyl]carbamoyl]phenyl]-N-methylbenzamide?
2-[4-[[(3R)-3-[ethyl(methyl)amino]butyl]carbamoyl]phenyl]-N-methylbenzamide has a molecular weight of 367.49 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3R)-3-[ethyl(methyl)amino]butyl]carbamoyl]phenyl]-N-methylbenzamide is sourced from PubChem (CID 126432805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).