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

C16H25N3O2 — CID 107569254

IUPAC(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-2-3-15(17)16(20)18-14-6-4-13(5-7-14)12-19-8-10-21-11-9-19/h4-7,15H,2-3,8-12,17H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyPYSLEQFLVRPYEP-HNNXBMFYSA-N
MW291.40 g/mol
LogP1.58
Rot. Bonds6

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

(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide (PubChem CID 107569254) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
PubChem CID107569254
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-2-3-15(17)16(20)18-14-6-4-13(5-7-14)12-19-8-10-21-11-9-19/h4-7,15H,2-3,8-12,17H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyPYSLEQFLVRPYEP-HNNXBMFYSA-N
XLogP1.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107
2-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119890389
2-methyl-3-(methylamino)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 79203852
2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide
CID 43713003
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149107
2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide
CID 60848333
methyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate
CID 70868401
2-amino-N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]pentanamide;hydrochloride
CID 119283316
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide
CID 108730937
2-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119843461

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide (CID 107569254) is (2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide is CCC[C@H](N)C(=O)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide?
The InChIKey is PYSLEQFLVRPYEP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-3-15(17)16(20)18-14-6-4-13(5-7-14)12-19-8-10-21-11-9-19/h4-7,15H,2-3,8-12,17H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide?
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide has a molecular weight of 291.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide is sourced from PubChem (CID 107569254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).