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

C17H27N3O2 — CID 119832107

IUPAC(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C17H27N3O2/c1-13(2)11-16(18)17(21)19-15-5-3-14(4-6-15)12-20-7-9-22-10-8-20/h3-6,13,16H,7-12,18H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyFYUGOTQQGNYMSP-INIZCTEOSA-N
MW305.42 g/mol
LogP1.83
Rot. Bonds6

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

(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide (PubChem CID 119832107) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
PubChem CID119832107
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C17H27N3O2/c1-13(2)11-16(18)17(21)19-15-5-3-14(4-6-15)12-20-7-9-22-10-8-20/h3-6,13,16H,7-12,18H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyFYUGOTQQGNYMSP-INIZCTEOSA-N
XLogP1.83
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 107569254
2-methyl-3-(methylamino)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 79203852
methyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate
CID 70868401
(2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 104902970
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide
CID 69060079
2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide
CID 60848333
2-(4-chlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108754563
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 81082842
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
(2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide
CID 119901452

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide (CID 119832107) is (2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide is CC(C)C[C@H](N)C(=O)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide?
The InChIKey is FYUGOTQQGNYMSP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(2)11-16(18)17(21)19-15-5-3-14(4-6-15)12-20-7-9-22-10-8-20/h3-6,13,16H,7-12,18H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide?
(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide has a molecular weight of 305.42 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide is sourced from PubChem (CID 119832107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).