N-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide

C14H19BrN2O2 — CID 81376334

IUPACN-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide
SMILESC[C@H](NC(=O)CC1CNCCO1)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-10(11-3-2-4-12(15)7-11)17-14(18)8-13-9-16-5-6-19-13/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)/t10-,13?/m0/s1
InChIKeySSIZHTHHPGKEJR-NKUHCKNESA-N
MW327.22 g/mol
LogP2.00
Rot. Bonds4

About N-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide

N-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide (PubChem CID 81376334) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide
PubChem CID81376334
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide
SMILESC[C@H](NC(=O)CC1CNCCO1)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-10(11-3-2-4-12(15)7-11)17-14(18)8-13-9-16-5-6-19-13/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)/t10-,13?/m0/s1
InChIKeySSIZHTHHPGKEJR-NKUHCKNESA-N
XLogP2.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119710822
2-morpholin-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119686331
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-morpholin-2-ylacetamide
CID 119720082
2-morpholin-2-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686106
N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119716420
N-[(1S)-1-(furan-2-yl)ethyl]-2-morpholin-2-ylacetamide
CID 81400402
N-benzhydryl-2-morpholin-2-ylacetamide;hydrochloride
CID 119675556
2-morpholin-2-yl-N-(1-phenylpropyl)acetamide
CID 66427474
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 104940419
N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide
CID 81375901
2-morpholin-2-yl-N-(4-phenylbutan-2-yl)acetamide
CID 66428944
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide?
The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide (CID 81376334) is N-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide?
The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide is C[C@H](NC(=O)CC1CNCCO1)c1cccc(Br)c1.
What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide?
The InChIKey is SSIZHTHHPGKEJR-NKUHCKNESA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10(11-3-2-4-12(15)7-11)17-14(18)8-13-9-16-5-6-19-13/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)/t10-,13?/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide?
N-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide has a molecular weight of 327.22 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-bromophenyl)ethyl]-2-morpholin-2-ylacetamide is sourced from PubChem (CID 81376334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).