3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide

C22H29N3O2 — CID 119890395

IUPAC3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
SMILESCc1ccc(CN2CCOCC2)cc1NC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-16-8-9-18(15-25-10-12-27-13-11-25)14-20(16)24-22(26)17(2)21(23)19-6-4-3-5-7-19/h3-9,14,17,21H,10-13,15,23H2,1-2H3,(H,24,26)
InChIKeyZPLTYWCVOUHNMQ-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.10
Rot. Bonds6

About 3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide

3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide (PubChem CID 119890395) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
PubChem CID119890395
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
SMILESCc1ccc(CN2CCOCC2)cc1NC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-16-8-9-18(15-25-10-12-27-13-11-25)14-20(16)24-22(26)17(2)21(23)19-6-4-3-5-7-19/h3-9,14,17,21H,10-13,15,23H2,1-2H3,(H,24,26)
InChIKeyZPLTYWCVOUHNMQ-UHFFFAOYSA-N
XLogP3.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
CID 119869951
2-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119890389
3-amino-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)-3-phenylpropanamide
CID 119851584
3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide
CID 119890407
4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119890424
4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide
CID 120597087
3-amino-2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-phenylpropanamide
CID 119845839
7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide
CID 119890381
2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119890420
3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide
CID 107701634
1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149169
(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide (CID 119890395) is 3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide is Cc1ccc(CN2CCOCC2)cc1NC(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide?
The InChIKey is ZPLTYWCVOUHNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-8-9-18(15-25-10-12-27-13-11-25)14-20(16)24-22(26)17(2)21(23)19-6-4-3-5-7-19/h3-9,14,17,21H,10-13,15,23H2,1-2H3,(H,24,26).
What are the key properties of 3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide?
3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide has a molecular weight of 367.49 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119890395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).