2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide

C20H27BrN2O — CID 9032634

IUPAC2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CNC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1
InChIInChI=1S/C20H27BrN2O/c1-13(17-2-4-18(21)5-3-17)23-19(24)12-22-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,13-16,22H,6-12H2,1H3,(H,23,24)/t13-,14?,15?,16?,20?/m0/s1
InChIKeyHLVKXFOBPJTRKC-IVKJLDKCSA-N
MW391.35 g/mol
LogP4.18
Rot. Bonds5

About 2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide

2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide (PubChem CID 9032634) has the molecular formula C20H27BrN2O and a molecular weight of 391.35 g/mol. Its IUPAC name is 2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
PubChem CID9032634
Molecular FormulaC20H27BrN2O
Molecular Weight391.35 g/mol
Exact Mass390.13
IUPAC Name2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CNC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1
InChIInChI=1S/C20H27BrN2O/c1-13(17-2-4-18(21)5-3-17)23-19(24)12-22-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,13-16,22H,6-12H2,1H3,(H,23,24)/t13-,14?,15?,16?,20?/m0/s1
InChIKeyHLVKXFOBPJTRKC-IVKJLDKCSA-N
XLogP4.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7666250
N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119753177
3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoic acid
CID 62232239
N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 18111449
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 81359750
N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81359041
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359098
N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 60646828
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359028
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(1,3,3-trichlorocyclobutyl)acetamide
CID 139910092
2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695427
2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 7303372

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide?
The IUPAC name of 2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide (CID 9032634) is 2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide?
The canonical SMILES for 2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide is C[C@H](NC(=O)CNC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1.
What is the InChIKey of 2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide?
The InChIKey is HLVKXFOBPJTRKC-IVKJLDKCSA-N. The full InChI is InChI=1S/C20H27BrN2O/c1-13(17-2-4-18(21)5-3-17)23-19(24)12-22-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,13-16,22H,6-12H2,1H3,(H,23,24)/t13-,14?,15?,16?,20?/m0/s1.
What are the key properties of 2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide?
2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide has a molecular weight of 391.35 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide is sourced from PubChem (CID 9032634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).