N-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide

C14H20BrN3O2 — CID 97087836

IUPACN-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)N[C@H](C)Cc1ccccc1Br
InChIInChI=1S/C14H20BrN3O2/c1-10(9-12-5-3-4-6-13(12)15)18-14(20)17-8-7-16-11(2)19/h3-6,10H,7-9H2,1-2H3,(H,16,19)(H2,17,18,20)/t10-/m1/s1
InChIKeyZUHXEXZOVGSCKD-SNVBAGLBSA-N
MW342.24 g/mol
LogP1.82
Rot. Bonds6

About N-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide

N-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide (PubChem CID 97087836) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is N-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
PubChem CID97087836
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC NameN-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)N[C@H](C)Cc1ccccc1Br
InChIInChI=1S/C14H20BrN3O2/c1-10(9-12-5-3-4-6-13(12)15)18-14(20)17-8-7-16-11(2)19/h3-6,10H,7-9H2,1-2H3,(H,16,19)(H2,17,18,20)/t10-/m1/s1
InChIKeyZUHXEXZOVGSCKD-SNVBAGLBSA-N
XLogP1.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2-bromophenyl)propan-2-ylcarbamoylamino]butanoic acid
CID 122006510
1-[(2R)-1-(2-bromophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-3-methoxypropyl]urea
CID 97087832
2-[acetyl(methyl)amino]-N-[(2R)-1-(2-bromophenyl)propan-2-yl]acetamide
CID 97087816
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
4-[1-(2-bromophenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006512
N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97213130
N-[1-(2-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119814306
1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea
CID 97087860
N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119341127
(2S)-2-(2-acetamidoethylcarbamoylamino)-3-phenylpropanoic acid
CID 61201697
(3S)-3-[[(2R)-1-(2-bromophenyl)propan-2-yl]amino]butanamide
CID 97102943
1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111505163

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide (CID 97087836) is N-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide is CC(=O)NCCNC(=O)N[C@H](C)Cc1ccccc1Br.
What is the InChIKey of N-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide?
The InChIKey is ZUHXEXZOVGSCKD-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-10(9-12-5-3-4-6-13(12)15)18-14(20)17-8-7-16-11(2)19/h3-6,10H,7-9H2,1-2H3,(H,16,19)(H2,17,18,20)/t10-/m1/s1.
What are the key properties of N-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide?
N-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide has a molecular weight of 342.24 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 97087836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).