2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

C20H29N3O2 — CID 166304966

IUPAC2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESCN(Cc1ccc(CN2CCOCC2)cc1)C(=O)C[C@H]1C=C[C@@H](N)C1
InChIInChI=1S/C20H29N3O2/c1-22(20(24)13-18-6-7-19(21)12-18)14-16-2-4-17(5-3-16)15-23-8-10-25-11-9-23/h2-7,18-19H,8-15,21H2,1H3/t18-,19+/m0/s1
InChIKeyVBKTVMXQZVCVLB-RBUKOAKNSA-N
MW343.47 g/mol
LogP1.77
Rot. Bonds6

About 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 166304966) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
PubChem CID166304966
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESCN(Cc1ccc(CN2CCOCC2)cc1)C(=O)C[C@H]1C=C[C@@H](N)C1
InChIInChI=1S/C20H29N3O2/c1-22(20(24)13-18-6-7-19(21)12-18)14-16-2-4-17(5-3-16)15-23-8-10-25-11-9-23/h2-7,18-19H,8-15,21H2,1H3/t18-,19+/m0/s1
InChIKeyVBKTVMXQZVCVLB-RBUKOAKNSA-N
XLogP1.77
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 43908262
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 8991176
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-triazole-4-carboxamide
CID 167824432
1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30312063
amino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid
CID 175714348
N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide
CID 109020407
1-[(3,4-dichlorophenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30311979
N-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide
CID 115575680
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (CID 166304966) is 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is CN(Cc1ccc(CN2CCOCC2)cc1)C(=O)C[C@H]1C=C[C@@H](N)C1.
What is the InChIKey of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is VBKTVMXQZVCVLB-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-22(20(24)13-18-6-7-19(21)12-18)14-16-2-4-17(5-3-16)15-23-8-10-25-11-9-23/h2-7,18-19H,8-15,21H2,1H3/t18-,19+/m0/s1.
What are the key properties of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 343.47 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 166304966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).