(3S)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide

C19H31N3O3 — CID 9453380

IUPAC(3S)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide
SMILESCOc1ccc(NC(=O)C[C@H](C)NCC(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C19H31N3O3/c1-15(20-14-19(2,3)22-9-11-25-12-10-22)13-18(23)21-16-5-7-17(24-4)8-6-16/h5-8,15,20H,9-14H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyYYWPLHNSQIBDRK-HNNXBMFYSA-N
MW349.48 g/mol
LogP2.11
Rot. Bonds8

About (3S)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide

(3S)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide (PubChem CID 9453380) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (3S)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide.

Molecular Properties

Compound Name(3S)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide
PubChem CID9453380
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(3S)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide
SMILESCOc1ccc(NC(=O)C[C@H](C)NCC(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C19H31N3O3/c1-15(20-14-19(2,3)22-9-11-25-12-10-22)13-18(23)21-16-5-7-17(24-4)8-6-16/h5-8,15,20H,9-14H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyYYWPLHNSQIBDRK-HNNXBMFYSA-N
XLogP2.11
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide with MolForge

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Related Compounds

(3R)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide
CID 9453382
4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid
CID 2955982
4-methoxy-N-[3-methyl-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxobutan-2-yl]benzamide
CID 17473370
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
N-(3-methoxyphenyl)-2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-phenylacetamide
CID 4796277
(3S)-3-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-N-(4-methoxyphenyl)butanamide
CID 30124564
2-[(R)-[2-(4-methoxyanilino)-2-oxoethyl]sulfinyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 51686054
(3S)-N-(4-methoxyphenyl)-3-[3-(2-oxoazepan-1-yl)propylamino]butanamide
CID 39966014
N-(4-methoxyphenyl)-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]butanamide
CID 17463704
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 26520547
N-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide
CID 75382758
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523260

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide?
The IUPAC name of (3S)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide (CID 9453380) is (3S)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide.
What is the SMILES notation for (3S)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide?
The canonical SMILES for (3S)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide is COc1ccc(NC(=O)C[C@H](C)NCC(C)(C)N2CCOCC2)cc1.
What is the InChIKey of (3S)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide?
The InChIKey is YYWPLHNSQIBDRK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-15(20-14-19(2,3)22-9-11-25-12-10-22)13-18(23)21-16-5-7-17(24-4)8-6-16/h5-8,15,20H,9-14H2,1-4H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (3S)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide?
(3S)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide has a molecular weight of 349.48 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-methoxyphenyl)-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]butanamide is sourced from PubChem (CID 9453380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).