N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide

C14H21BrN2O — CID 60646828

IUPACN-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
SMILESCCC(C)NCC(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-4-10(2)16-9-14(18)17-11(3)12-5-7-13(15)8-6-12/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyRZKJVAJBZOUWIY-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.01
Rot. Bonds6

About N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide

N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide (PubChem CID 60646828) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
PubChem CID60646828
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
SMILESCCC(C)NCC(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-4-10(2)16-9-14(18)17-11(3)12-5-7-13(15)8-6-12/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyRZKJVAJBZOUWIY-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 81359750
2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide
CID 60693866
2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide
CID 63867528
(2S,3S)-2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099946
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409809
(2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 94215803
N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
CID 43179384
3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoic acid
CID 62232239
2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
CID 43400964
N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81359041
2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 54925343
2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695427

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide (CID 60646828) is N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide is CCC(C)NCC(=O)NC(C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide?
The InChIKey is RZKJVAJBZOUWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-10(2)16-9-14(18)17-11(3)12-5-7-13(15)8-6-12/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide?
N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide has a molecular weight of 313.24 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide is sourced from PubChem (CID 60646828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).