2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide

C13H18BrN3O2 — CID 93341408

IUPAC2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide
SMILESC[C@H](Cc1ccc(Br)cc1)NC(=O)CNC(=O)CN
InChIInChI=1S/C13H18BrN3O2/c1-9(6-10-2-4-11(14)5-3-10)17-13(19)8-16-12(18)7-15/h2-5,9H,6-8,15H2,1H3,(H,16,18)(H,17,19)/t9-/m1/s1
InChIKeySKGVYOQEQUTXFE-SECBINFHSA-N
MW328.21 g/mol
LogP0.57
Rot. Bonds6

About 2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide

2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide (PubChem CID 93341408) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide
PubChem CID93341408
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide
SMILESC[C@H](Cc1ccc(Br)cc1)NC(=O)CNC(=O)CN
InChIInChI=1S/C13H18BrN3O2/c1-9(6-10-2-4-11(14)5-3-10)17-13(19)8-16-12(18)7-15/h2-5,9H,6-8,15H2,1H3,(H,16,18)(H,17,19)/t9-/m1/s1
InChIKeySKGVYOQEQUTXFE-SECBINFHSA-N
XLogP0.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(4-bromophenyl)propan-2-ylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 47288217
3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropanoic acid
CID 62230124
(2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride
CID 119295652
2-[2-[1-(4-bromophenyl)propan-2-ylamino]-2-oxoethyl]sulfanylacetic acid
CID 113427699
N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
CID 51948784
(2S)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]butanamide
CID 79024112
2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide
CID 112789358
(3R)-3-[[2-(4-bromophenyl)acetyl]amino]butanoic acid
CID 93262777
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide
CID 47210807
N-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide
CID 51123377
2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide
CID 79705015
2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide
CID 114310589

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide (CID 93341408) is 2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide is C[C@H](Cc1ccc(Br)cc1)NC(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide?
The InChIKey is SKGVYOQEQUTXFE-SECBINFHSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-9(6-10-2-4-11(14)5-3-10)17-13(19)8-16-12(18)7-15/h2-5,9H,6-8,15H2,1H3,(H,16,18)(H,17,19)/t9-/m1/s1.
What are the key properties of 2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide has a molecular weight of 328.21 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 93341408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).