(2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide

C19H31N3O3 — CID 119865271

IUPAC(2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1ccccc1OCCN1CCOCC1
InChIInChI=1S/C19H31N3O3/c1-15(2)13-17(20)19(23)21-14-16-5-3-4-6-18(16)25-12-9-22-7-10-24-11-8-22/h3-6,15,17H,7-14,20H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyNHFUVJKTOGTWLG-KRWDZBQOSA-N
MW349.48 g/mol
LogP1.39
Rot. Bonds9

About (2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide

(2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide (PubChem CID 119865271) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide
PubChem CID119865271
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1ccccc1OCCN1CCOCC1
InChIInChI=1S/C19H31N3O3/c1-15(2)13-17(20)19(23)21-14-16-5-3-4-6-18(16)25-12-9-22-7-10-24-11-8-22/h3-6,15,17H,7-14,20H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyNHFUVJKTOGTWLG-KRWDZBQOSA-N
XLogP1.39
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865260
2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride
CID 119946846
1-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119865229
2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride
CID 119865216
3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119865223
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
(1S)-1-[2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 78936484
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111217393
(2S,5R)-5-(aminomethyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 120799128
2-indol-1-yl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide
CID 86859991
(2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 120940171
1-(3-methoxypropyl)-2-methyl-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 110973903

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide (CID 119865271) is (2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide is CC(C)C[C@H](N)C(=O)NCc1ccccc1OCCN1CCOCC1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide?
The InChIKey is NHFUVJKTOGTWLG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-15(2)13-17(20)19(23)21-14-16-5-3-4-6-18(16)25-12-9-22-7-10-24-11-8-22/h3-6,15,17H,7-14,20H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide?
(2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide has a molecular weight of 349.48 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide is sourced from PubChem (CID 119865271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).